trifluoromethyl 2-fluoropropanoate

C4H4F4O2 — CID 126635608

IUPACtrifluoromethyl 2-fluoropropanoate
SMILESCC(F)C(=O)OC(F)(F)F
InChIInChI=1S/C4H4F4O2/c1-2(5)3(9)10-4(6,7)8/h2H,1H3
InChIKeyQZFJYLRRBFGZMM-UHFFFAOYSA-N
MW160.07 g/mol
LogP1.41
Rot. Bonds1

About trifluoromethyl 2-fluoropropanoate

trifluoromethyl 2-fluoropropanoate (PubChem CID 126635608) has the molecular formula C4H4F4O2 and a molecular weight of 160.07 g/mol. Its IUPAC name is trifluoromethyl 2-fluoropropanoate.

Molecular Properties

Compound Nametrifluoromethyl 2-fluoropropanoate
PubChem CID126635608
Molecular FormulaC4H4F4O2
Molecular Weight160.07 g/mol
Exact Mass160.01
IUPAC Nametrifluoromethyl 2-fluoropropanoate
SMILESCC(F)C(=O)OC(F)(F)F
InChIInChI=1S/C4H4F4O2/c1-2(5)3(9)10-4(6,7)8/h2H,1H3
InChIKeyQZFJYLRRBFGZMM-UHFFFAOYSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.07
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-fluoropropanoate
CID 91554233
2-fluoropropanoyl 2-fluoropropanoate
CID 57174610
trifluoromethyl 3-aminobutanoate
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1-O-ethyl 3-O-(trifluoromethyl) 2-ethylpropanedioate
CID 174943642
trifluoromethyl 2-methyl-3-oxo-3-phenylpropanoate
CID 70173692
bis(trifluoromethyl) oxalate
CID 71350742
(2S)-2-fluoropropanamide
CID 129374964
bis(trifluoromethyl) carbonate
CID 21263525
2,2-difluoroethyl 2-fluoropropanoate
CID 141498564
CID 87608976
CID 87608976
CID 87138094
CID 87138094
methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate
CID 159507124

Frequently Asked Questions

What is the IUPAC name of trifluoromethyl 2-fluoropropanoate?
The IUPAC name of trifluoromethyl 2-fluoropropanoate (CID 126635608) is trifluoromethyl 2-fluoropropanoate.
What is the SMILES notation for trifluoromethyl 2-fluoropropanoate?
The canonical SMILES for trifluoromethyl 2-fluoropropanoate is CC(F)C(=O)OC(F)(F)F.
What is the InChIKey of trifluoromethyl 2-fluoropropanoate?
The InChIKey is QZFJYLRRBFGZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4O2/c1-2(5)3(9)10-4(6,7)8/h2H,1H3.
What are the key properties of trifluoromethyl 2-fluoropropanoate?
trifluoromethyl 2-fluoropropanoate has a molecular weight of 160.07 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl 2-fluoropropanoate is sourced from PubChem (CID 126635608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).