EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	A7LZ4LX82X
EPA CompTox	DTXSID0059798

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

A7LZ4LX82X

EPA CompTox

DTXSID0059798


InChI Key	GJYLSFCFHFUODO-UHFFFAOYSA-N
Smiles	C(C(F)(C(C(F)(C(C(F)(C(C(F)(C(C(F)(C(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)O
InChI	InChI=1S/C11H4F20O/c12-2(13)4(16,17)6(20,21)8(24,25)10(28,29)11(30,31)9(26,27)7(22,23)5(18,19)3(14,15)1-32/h2,32H,1H2

InChI Key

GJYLSFCFHFUODO-UHFFFAOYSA-N

Smiles

C(C(F)(C(C(F)(C(C(F)(C(C(F)(C(C(F)(C(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)O

InChI

InChI=1S/C11H4F20O/c12-2(13)4(16,17)6(20,21)8(24,25)10(28,29)11(30,31)9(26,27)7(22,23)5(18,19)3(14,15)1-32/h2,32H,1H2

Property Name	Value
Molecular Formula	C11H4F20O1
Molecular Weight	531.99
AlogP	5.96
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	10.0
Polar Surface Area	20.23
Heavy Atoms	32.0

Property Name

Value

Molecular Formula

C11H4F20O1

Molecular Weight

531.99

AlogP

5.96

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

10.0

Polar Surface Area

20.23

Heavy Atoms

32.0

Resources	Reference
CAS NUMBER	307-70-0
NORMAN SUSDAT
FDA SRS	A7LZ4LX82X
PubChem	67548
ChemSpider	60870.0

Resources

Reference

CAS NUMBER

307-70-0

NORMAN SUSDAT

FDA SRS

A7LZ4LX82X

PubChem

67548

ChemSpider

60870.0

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

1H,1H,11H-EICOSAFLUORO-1-UNDECANOL

Structure

Physicochemical Descriptors

Cross References