EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	J9H32NG35P
EPA CompTox	DTXSID20229135

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

J9H32NG35P

EPA CompTox

DTXSID20229135


InChI Key	LMDVXEYWUKBXOF-UHFFFAOYSA-N
Smiles	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI	InChI=1S/C16H8F26O/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-3-43-4-2-6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h1-4H2

InChI Key

LMDVXEYWUKBXOF-UHFFFAOYSA-N

Smiles

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChI

InChI=1S/C16H8F26O/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-3-43-4-2-6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h1-4H2

Property Name	Value
Molecular Formula	C16H8F26O
Molecular Weight	710.02
AlogP	9.26
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	14.0
Polar Surface Area	9.23
Heavy Atoms	43.0

Property Name

Value

Molecular Formula

C16H8F26O

Molecular Weight

710.02

AlogP

9.26

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

14.0

Polar Surface Area

9.23

Heavy Atoms

43.0

Resources	Reference
CAS NUMBER	78522-74-4
NORMAN SUSDAT
FDA SRS	J9H32NG35P
PubChem	11828643

Resources

Reference

CAS NUMBER

78522-74-4

NORMAN SUSDAT

FDA SRS

J9H32NG35P

PubChem

11828643

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

BIS(1,1,2,2-TETRAHYDROPERFLUOROOCTYL) ETHER

Structure

Physicochemical Descriptors

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