EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Salt-form
UNII	63A7SMF12M
EPA CompTox	DTXSID40880025

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Salt-form

UNII

63A7SMF12M

EPA CompTox

DTXSID40880025


InChI Key	LWHQXUODFPPQTL-UHFFFAOYSA-M
Smiles	[Na+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI	InChI=1/C8HF15O2.Na/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1

InChI Key

LWHQXUODFPPQTL-UHFFFAOYSA-M

Smiles

[Na+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChI

InChI=1/C8HF15O2.Na/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1

Property Name	Value
Molecular Formula	C8F15NaO2
Molecular Weight	435.96
AlogP	0.11
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	40.13
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C8F15NaO2

Molecular Weight

435.96

AlogP

0.11

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

40.13

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	335-95-5
NORMAN SUSDAT
FDA SRS	63A7SMF12M

Resources

Reference

CAS NUMBER

335-95-5

NORMAN SUSDAT

FDA SRS

63A7SMF12M

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

SODIUM PENTADECAFLUOROOCTANOATE

Structure

Physicochemical Descriptors

Cross References