EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	DPH4JT6JRF
EPA CompTox	DTXSID50883729

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

DPH4JT6JRF

EPA CompTox

DTXSID50883729


InChI Key	FMQPBWHSNCRVQJ-UHFFFAOYSA-N
Smiles	O=C(OC(C(F)(F)F)C(F)(F)F)C(=C)C
InChI	InChI=1/C7H6F6O2/c1-3(2)4(14)15-5(6(8,9)10)7(11,12)13/h5H,1H2,2H3

InChI Key

FMQPBWHSNCRVQJ-UHFFFAOYSA-N

Smiles

O=C(OC(C(F)(F)F)C(F)(F)F)C(=C)C

InChI

InChI=1/C7H6F6O2/c1-3(2)4(14)15-5(6(8,9)10)7(11,12)13/h5H,1H2,2H3

Property Name	Value
Molecular Formula	C7H6F6O2
Molecular Weight	236.03
AlogP	2.6
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	26.3
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C7H6F6O2

Molecular Weight

236.03

AlogP

2.6

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

26.3

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	3063-94-3
NORMAN SUSDAT
FDA SRS	DPH4JT6JRF
PubChem	76469

Resources

Reference

CAS NUMBER

3063-94-3

NORMAN SUSDAT

FDA SRS

DPH4JT6JRF

PubChem

76469

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...

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Last update: Monday, 3 November 2025

2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)ETHYL METHACRYLATE

Structure

Physicochemical Descriptors

Cross References