2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride

C4H2F6O2 — CID 59008596

IUPAC2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride
SMILESO=C(F)C(F)(OCF)C(F)(F)F
InChIInChI=1S/C4H2F6O2/c5-1-12-3(7,2(6)11)4(8,9)10/h1H2
InChIKeyQFJBDJXGEUWUGX-UHFFFAOYSA-N
MW196.05 g/mol
LogP1.65
Rot. Bonds3

About 2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride

2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride (PubChem CID 59008596) has the molecular formula C4H2F6O2 and a molecular weight of 196.05 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride
PubChem CID59008596
Molecular FormulaC4H2F6O2
Molecular Weight196.05 g/mol
Exact Mass196.00
IUPAC Name2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride
SMILESO=C(F)C(F)(OCF)C(F)(F)F
InChIInChI=1S/C4H2F6O2/c5-1-12-3(7,2(6)11)4(8,9)10/h1H2
InChIKeyQFJBDJXGEUWUGX-UHFFFAOYSA-N
XLogP1.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.05
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,3,3-tetrafluoro-2-(fluorosulfonylmethoxy)propanoyl fluoride
CID 158427850
2-[1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-3-yl]oxy-2,3,3,3-tetrafluoropropanoyl fluoride
CID 175734920
2-[2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl]oxyethyl 2-methylbutanoate
CID 168734523
3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoyl fluoride
CID 12585986
2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propanoyl fluoride
CID 11696776
(2S)-2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoyl fluoride
CID 98454810
2,2,3,3,4,4-hexafluoro-4-[(2S)-1,1,1,2,3-pentafluoro-3-oxopropan-2-yl]oxybutanoyl fluoride
CID 98047876
2,2,3,3,4,4-hexafluoro-4-(1,1,1,2,3-pentafluoro-3-oxopropan-2-yl)oxybutanoyl fluoride
CID 11256917
4-fluoro-2-(trifluoromethyl)butanoyl fluoride
CID 151926103
1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane
CID 11805140
(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride
CID 98110115
2-ethoxy-2,3,3,3-tetrafluoropropanamide
CID 2802176

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride (CID 59008596) is 2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride is O=C(F)C(F)(OCF)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride?
The InChIKey is QFJBDJXGEUWUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6O2/c5-1-12-3(7,2(6)11)4(8,9)10/h1H2.
What are the key properties of 2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride?
2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride has a molecular weight of 196.05 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride is sourced from PubChem (CID 59008596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).