4-[4-(trifluoromethyl)phenyl]butanoyl chloride

C11H10ClF3O — CID 165349049

IUPAC4-[4-(trifluoromethyl)phenyl]butanoyl chloride
SMILESO=C(Cl)CCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10ClF3O/c12-10(16)3-1-2-8-4-6-9(7-5-8)11(13,14)15/h4-7H,1-3H2
InChIKeyLTWBZDGMMNSVGT-UHFFFAOYSA-N
MW250.65 g/mol
LogP3.79
Rot. Bonds4

About 4-[4-(trifluoromethyl)phenyl]butanoyl chloride

4-[4-(trifluoromethyl)phenyl]butanoyl chloride (PubChem CID 165349049) has the molecular formula C11H10ClF3O and a molecular weight of 250.65 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]butanoyl chloride.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]butanoyl chloride
PubChem CID165349049
Molecular FormulaC11H10ClF3O
Molecular Weight250.65 g/mol
Exact Mass250.04
IUPAC Name4-[4-(trifluoromethyl)phenyl]butanoyl chloride
SMILESO=C(Cl)CCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10ClF3O/c12-10(16)3-1-2-8-4-6-9(7-5-8)11(13,14)15/h4-7H,1-3H2
InChIKeyLTWBZDGMMNSVGT-UHFFFAOYSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(trifluoromethyl)phenyl]pentanamide
CID 162568096
1-[4-(trifluoromethyl)phenyl]heptan-4-one
CID 64522928
6-[4-(trifluoromethyl)phenyl]hexanamide
CID 66848410
4-phenylbutanoyl chloride
CID 11789865
4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoic acid
CID 151091518
4-[4-(2-methylpropyl)phenyl]butanoyl chloride
CID 93185946
ethyl 6-[4-(trifluoromethyl)phenyl]hexanoate
CID 11737774
2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 46209743
1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 62115398
sodium 3-[4-(trifluoromethyl)phenyl]propane-1-sulfinate
CID 165450489
trihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
CID 90170967

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]butanoyl chloride?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]butanoyl chloride (CID 165349049) is 4-[4-(trifluoromethyl)phenyl]butanoyl chloride.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]butanoyl chloride?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]butanoyl chloride is O=C(Cl)CCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]butanoyl chloride?
The InChIKey is LTWBZDGMMNSVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O/c12-10(16)3-1-2-8-4-6-9(7-5-8)11(13,14)15/h4-7H,1-3H2.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]butanoyl chloride?
4-[4-(trifluoromethyl)phenyl]butanoyl chloride has a molecular weight of 250.65 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]butanoyl chloride is sourced from PubChem (CID 165349049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).