trifluoromethyl 2-fluoroacetate

C3H2F4O2 — CID 151136868

IUPACtrifluoromethyl 2-fluoroacetate
SMILESO=C(CF)OC(F)(F)F
InChIInChI=1S/C3H2F4O2/c4-1-2(8)9-3(5,6)7/h1H2
InChIKeyMVJMMTBKRXTGLI-UHFFFAOYSA-N
MW146.04 g/mol
LogP1.02
Rot. Bonds1

About trifluoromethyl 2-fluoroacetate

trifluoromethyl 2-fluoroacetate (PubChem CID 151136868) has the molecular formula C3H2F4O2 and a molecular weight of 146.04 g/mol. Its IUPAC name is trifluoromethyl 2-fluoroacetate.

Molecular Properties

Compound Nametrifluoromethyl 2-fluoroacetate
PubChem CID151136868
Molecular FormulaC3H2F4O2
Molecular Weight146.04 g/mol
Exact Mass146.00
IUPAC Nametrifluoromethyl 2-fluoroacetate
SMILESO=C(CF)OC(F)(F)F
InChIInChI=1S/C3H2F4O2/c4-1-2(8)9-3(5,6)7/h1H2
InChIKeyMVJMMTBKRXTGLI-UHFFFAOYSA-N
XLogP1.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.04
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Acetic acid, 2,2-difluoro-, ion(1-)
CID 3606132
Difluoroacetic acid, sodium salt
CID 23691995
Difluoroacetic anhydride
CID 2774048
Lithium difluoroacetate
CID 23681257
Difluoromethyl trifluoroacetate
CID 13571387
Trifluoromethyl acetate
CID 18410426
Trifluoro deuteroacetic acid
CID 20826380
Fluoro 2,2-difluoroacetate
CID 22326029
Acetic acid, 2,2-difluoro-, silver(1+) salt (1:1)
CID 71085
2,2,3,3-Tetrafluoropropanoate
CID 3299913
Trifluoroacetic acid trifluoromethyl ester
CID 10943089
Perfluoroethyl acetate
CID 12549361

Frequently Asked Questions

What is the IUPAC name of trifluoromethyl 2-fluoroacetate?
The IUPAC name of trifluoromethyl 2-fluoroacetate (CID 151136868) is trifluoromethyl 2-fluoroacetate.
What is the SMILES notation for trifluoromethyl 2-fluoroacetate?
The canonical SMILES for trifluoromethyl 2-fluoroacetate is O=C(CF)OC(F)(F)F.
What is the InChIKey of trifluoromethyl 2-fluoroacetate?
The InChIKey is MVJMMTBKRXTGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F4O2/c4-1-2(8)9-3(5,6)7/h1H2.
What are the key properties of trifluoromethyl 2-fluoroacetate?
trifluoromethyl 2-fluoroacetate has a molecular weight of 146.04 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl 2-fluoroacetate is sourced from PubChem (CID 151136868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).