1,1,2-trifluoroethyl 2-fluoroacetate

C4H4F4O2 — CID 151748690

IUPAC1,1,2-trifluoroethyl 2-fluoroacetate
SMILESO=C(CF)OC(F)(F)CF
InChIInChI=1S/C4H4F4O2/c5-1-3(9)10-4(7,8)2-6/h1-2H2
InChIKeyROBFDSTZDOMGBP-UHFFFAOYSA-N
MW160.07 g/mol
LogP1.06
Rot. Bonds3

About 1,1,2-trifluoroethyl 2-fluoroacetate

1,1,2-trifluoroethyl 2-fluoroacetate (PubChem CID 151748690) has the molecular formula C4H4F4O2 and a molecular weight of 160.07 g/mol. Its IUPAC name is 1,1,2-trifluoroethyl 2-fluoroacetate.

Molecular Properties

Compound Name1,1,2-trifluoroethyl 2-fluoroacetate
PubChem CID151748690
Molecular FormulaC4H4F4O2
Molecular Weight160.07 g/mol
Exact Mass160.01
IUPAC Name1,1,2-trifluoroethyl 2-fluoroacetate
SMILESO=C(CF)OC(F)(F)CF
InChIInChI=1S/C4H4F4O2/c5-1-3(9)10-4(7,8)2-6/h1-2H2
InChIKeyROBFDSTZDOMGBP-UHFFFAOYSA-N
XLogP1.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.07
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trifluoromethyl 2-fluoroacetate
CID 151136868
1,1,2-trifluoroethyl 2-oxopropanoate
CID 87729928
1,1,2-trifluoroethyl 2,3,3-trifluoroprop-2-enoate
CID 140506877
1,1,2-trifluoroethyl (E)-2-methylbut-2-enoate
CID 169449580
1,1,2-trifluoroethyl N-ethylcarbamate
CID 173025473
2-(2-fluoroacetyl)oxybutan-2-yl 2-fluoroacetate
CID 164901002
2,2-difluorobutanoic acid;ethyl 2-fluoroacetate
CID 175803499
[hydroxy-(2,2,2-trifluoroacetyl)amino] 2-fluoroacetate
CID 172703281
bis(trifluoromethyl) oxalate
CID 71350742
fluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate
CID 174409170
(2-fluoroacetyl) 2-fluoroacetate;prop-2-enoic acid
CID 175408800
1,1,2,2,3-pentafluoropropyl 2-fluoroprop-2-enoate
CID 19741880

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoroethyl 2-fluoroacetate?
The IUPAC name of 1,1,2-trifluoroethyl 2-fluoroacetate (CID 151748690) is 1,1,2-trifluoroethyl 2-fluoroacetate.
What is the SMILES notation for 1,1,2-trifluoroethyl 2-fluoroacetate?
The canonical SMILES for 1,1,2-trifluoroethyl 2-fluoroacetate is O=C(CF)OC(F)(F)CF.
What is the InChIKey of 1,1,2-trifluoroethyl 2-fluoroacetate?
The InChIKey is ROBFDSTZDOMGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4O2/c5-1-3(9)10-4(7,8)2-6/h1-2H2.
What are the key properties of 1,1,2-trifluoroethyl 2-fluoroacetate?
1,1,2-trifluoroethyl 2-fluoroacetate has a molecular weight of 160.07 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoroethyl 2-fluoroacetate is sourced from PubChem (CID 151748690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).