EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID10982929

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID10982929


InChI Key	SXLLWDJFRZODKV-UHFFFAOYSA-N
Smiles	O=C(OC(C)(C)C(F)(F)C(F)F)C(=C)C
InChI	InChI=1/C9H12F4O2/c1-5(2)6(14)15-8(3,4)9(12,13)7(10)11/h7H,1H2,2-4H3

InChI Key

SXLLWDJFRZODKV-UHFFFAOYSA-N

Smiles

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

InChI

InChI=1/C9H12F4O2/c1-5(2)6(14)15-8(3,4)9(12,13)7(10)11/h7H,1H2,2-4H3

Property Name	Value
Molecular Formula	C9H12F4O2
Molecular Weight	228.08
AlogP	2.78
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	26.3
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C9H12F4O2

Molecular Weight

228.08

AlogP

2.78

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

26.3

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	64375-26-4
NORMAN SUSDAT
PubChem	16205179

Resources

Reference

CAS NUMBER

64375-26-4

NORMAN SUSDAT

PubChem

16205179

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

2,2,3,3-TETRAFLUORO-1,1-DIMETHYLPROPYL METHACRYLATE

Structure

Physicochemical Descriptors

Cross References