3,3,3-Trifluoro-2,2-bis(trifluoromethyl)propanoyl fluoride

C5F10O — CID 12585986

IUPAC3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoyl fluoride
SMILESC(=O)(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)F
InChIInChI=1S/C5F10O/c6-1(16)2(3(7,8)9,4(10,11)12)5(13,14)15
InChIKeyHRJYQKAJBSOOOZ-UHFFFAOYSA-N
MW266.04 g/mol
LogP3.40
Rot. Bonds1

About 3,3,3-Trifluoro-2,2-bis(trifluoromethyl)propanoyl fluoride

3,3,3-Trifluoro-2,2-bis(trifluoromethyl)propanoyl fluoride (PubChem CID 12585986) has the molecular formula C5F10O and a molecular weight of 266.04 g/mol. Its IUPAC name is 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoyl fluoride.

Molecular Properties

Compound Name3,3,3-Trifluoro-2,2-bis(trifluoromethyl)propanoyl fluoride
PubChem CID12585986
Molecular FormulaC5F10O
Molecular Weight266.04 g/mol
Exact Mass265.98
IUPAC Name3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoyl fluoride
SMILESC(=O)(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)F
InChIInChI=1S/C5F10O/c6-1(16)2(3(7,8)9,4(10,11)12)5(13,14)15
InChIKeyHRJYQKAJBSOOOZ-UHFFFAOYSA-N
XLogP3.40
TPSA17.10 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds1
Heavy Atoms16
Complexity243

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.04
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-Trifluoro-2,2-bis(trifluoromethyl)propanoyl fluoride?
The IUPAC name of 3,3,3-Trifluoro-2,2-bis(trifluoromethyl)propanoyl fluoride (CID 12585986) is 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoyl fluoride.
What is the SMILES notation for 3,3,3-Trifluoro-2,2-bis(trifluoromethyl)propanoyl fluoride?
The canonical SMILES for 3,3,3-Trifluoro-2,2-bis(trifluoromethyl)propanoyl fluoride is C(=O)(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)F.
What is the InChIKey of 3,3,3-Trifluoro-2,2-bis(trifluoromethyl)propanoyl fluoride?
The InChIKey is HRJYQKAJBSOOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F10O/c6-1(16)2(3(7,8)9,4(10,11)12)5(13,14)15.
What are the key properties of 3,3,3-Trifluoro-2,2-bis(trifluoromethyl)propanoyl fluoride?
3,3,3-Trifluoro-2,2-bis(trifluoromethyl)propanoyl fluoride has a molecular weight of 266.04 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-Trifluoro-2,2-bis(trifluoromethyl)propanoyl fluoride is sourced from PubChem (CID 12585986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).