2-(trifluoromethyl)hexadecanoyl fluoride

C17H30F4O — CID 175023315

IUPAC2-(trifluoromethyl)hexadecanoyl fluoride
SMILESCCCCCCCCCCCCCCC(C(=O)F)C(F)(F)F
InChIInChI=1S/C17H30F4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16(18)22)17(19,20)21/h15H,2-14H2,1H3
InChIKeyPVWVJYZPCUWWCT-UHFFFAOYSA-N
MW326.42 g/mol
LogP6.75
Rot. Bonds14

About 2-(trifluoromethyl)hexadecanoyl fluoride

2-(trifluoromethyl)hexadecanoyl fluoride (PubChem CID 175023315) has the molecular formula C17H30F4O and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(trifluoromethyl)hexadecanoyl fluoride.

Molecular Properties

Compound Name2-(trifluoromethyl)hexadecanoyl fluoride
PubChem CID175023315
Molecular FormulaC17H30F4O
Molecular Weight326.42 g/mol
Exact Mass326.22
IUPAC Name2-(trifluoromethyl)hexadecanoyl fluoride
SMILESCCCCCCCCCCCCCCC(C(=O)F)C(F)(F)F
InChIInChI=1S/C17H30F4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16(18)22)17(19,20)21/h15H,2-14H2,1H3
InChIKeyPVWVJYZPCUWWCT-UHFFFAOYSA-N
XLogP6.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-(trifluoromethyl)decanamide
CID 87943520
butyl 2-(trifluoromethyl)octanoate
CID 87943129
N,N-diethyl-2-(trifluoromethyl)nonanamide
CID 87943381
propyl 2-(trifluoromethyl)nonanoate
CID 87943473
5-(trifluoromethyl)undecan-6-one
CID 14914268
4-fluoro-2-(trifluoromethyl)butanoyl fluoride
CID 151926103
N-pentylsulfanyl-2-(trifluoromethyl)heptanamide
CID 174529612
(2S)-1,1,1-trifluorodecan-2-ol
CID 10878470
(2R)-1,1,1-trifluoroundecan-2-ol
CID 2779105
1,1,1-trifluoro-2-(trifluoromethyl)octane
CID 87708107
1,1,1-trifluoro-2-(trifluoromethyl)undecane
CID 150236240
1,1,1-trifluoro-2-(trifluoromethyl)octan-3-ol
CID 103312468

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)hexadecanoyl fluoride?
The IUPAC name of 2-(trifluoromethyl)hexadecanoyl fluoride (CID 175023315) is 2-(trifluoromethyl)hexadecanoyl fluoride.
What is the SMILES notation for 2-(trifluoromethyl)hexadecanoyl fluoride?
The canonical SMILES for 2-(trifluoromethyl)hexadecanoyl fluoride is CCCCCCCCCCCCCCC(C(=O)F)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)hexadecanoyl fluoride?
The InChIKey is PVWVJYZPCUWWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16(18)22)17(19,20)21/h15H,2-14H2,1H3.
What are the key properties of 2-(trifluoromethyl)hexadecanoyl fluoride?
2-(trifluoromethyl)hexadecanoyl fluoride has a molecular weight of 326.42 g/mol, XLogP of 6.75, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)hexadecanoyl fluoride is sourced from PubChem (CID 175023315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).