3-fluoro-2-(trifluoromethoxy)propanoyl fluoride

C4H3F5O2 — CID 174926861

IUPAC3-fluoro-2-(trifluoromethoxy)propanoyl fluoride
SMILESO=C(F)C(CF)OC(F)(F)F
InChIInChI=1S/C4H3F5O2/c5-1-2(3(6)10)11-4(7,8)9/h2H,1H2
InChIKeyXOCHFBZHFNCEGX-UHFFFAOYSA-N
MW178.06 g/mol
LogP1.36
Rot. Bonds3

About 3-fluoro-2-(trifluoromethoxy)propanoyl fluoride

3-fluoro-2-(trifluoromethoxy)propanoyl fluoride (PubChem CID 174926861) has the molecular formula C4H3F5O2 and a molecular weight of 178.06 g/mol. Its IUPAC name is 3-fluoro-2-(trifluoromethoxy)propanoyl fluoride.

Molecular Properties

Compound Name3-fluoro-2-(trifluoromethoxy)propanoyl fluoride
PubChem CID174926861
Molecular FormulaC4H3F5O2
Molecular Weight178.06 g/mol
Exact Mass178.01
IUPAC Name3-fluoro-2-(trifluoromethoxy)propanoyl fluoride
SMILESO=C(F)C(CF)OC(F)(F)F
InChIInChI=1S/C4H3F5O2/c5-1-2(3(6)10)11-4(7,8)9/h2H,1H2
InChIKeyXOCHFBZHFNCEGX-UHFFFAOYSA-N
XLogP1.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.06
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-(trifluoromethyl)butanoyl fluoride
CID 151926103
(3R)-3-(trifluoromethoxy)butanoic acid
CID 107876657
3-(trifluoromethoxy)butanoic acid
CID 87118364
2,2-bis(trifluoromethoxy)ethanol
CID 175090363
trifluoromethyl 2-fluoroacetate
CID 151136868
trifluoromethyl carbonofluoridate
CID 541789
2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride
CID 59008596
4,4,4-trifluoro-2-(trifluoromethyl)butanoyl fluoride;hydrofluoride
CID 91399303
bis(trifluoromethyl) oxalate
CID 71350742
bis(trifluoromethyl) carbonate
CID 21263525
[2,2,2-trifluoro-1-(trifluoromethoxy)ethyl] prop-2-enoate
CID 139981517
2-[2-(trifluoromethoxy)propanoyloxy]ethanesulfinate
CID 174558415

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(trifluoromethoxy)propanoyl fluoride?
The IUPAC name of 3-fluoro-2-(trifluoromethoxy)propanoyl fluoride (CID 174926861) is 3-fluoro-2-(trifluoromethoxy)propanoyl fluoride.
What is the SMILES notation for 3-fluoro-2-(trifluoromethoxy)propanoyl fluoride?
The canonical SMILES for 3-fluoro-2-(trifluoromethoxy)propanoyl fluoride is O=C(F)C(CF)OC(F)(F)F.
What is the InChIKey of 3-fluoro-2-(trifluoromethoxy)propanoyl fluoride?
The InChIKey is XOCHFBZHFNCEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5O2/c5-1-2(3(6)10)11-4(7,8)9/h2H,1H2.
What are the key properties of 3-fluoro-2-(trifluoromethoxy)propanoyl fluoride?
3-fluoro-2-(trifluoromethoxy)propanoyl fluoride has a molecular weight of 178.06 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(trifluoromethoxy)propanoyl fluoride is sourced from PubChem (CID 174926861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).