4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride

C14H7ClF4O — CID 46313255

IUPAC4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(-c2ccccc2F)cc1C(F)(F)F
InChIInChI=1S/C14H7ClF4O/c15-13(20)10-6-5-8(7-11(10)14(17,18)19)9-3-1-2-4-12(9)16/h1-7H
InChIKeyDFTALGSBDOLXSI-UHFFFAOYSA-N
MW302.65 g/mol
LogP4.89
Rot. Bonds2

About 4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride

4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride (PubChem CID 46313255) has the molecular formula C14H7ClF4O and a molecular weight of 302.65 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride
PubChem CID46313255
Molecular FormulaC14H7ClF4O
Molecular Weight302.65 g/mol
Exact Mass302.01
IUPAC Name4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(-c2ccccc2F)cc1C(F)(F)F
InChIInChI=1S/C14H7ClF4O/c15-13(20)10-6-5-8(7-11(10)14(17,18)19)9-3-1-2-4-12(9)16/h1-7H
InChIKeyDFTALGSBDOLXSI-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.65
LogP ≤ 54.89
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-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid
CID 46314102
1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647106
[4-(2-fluorophenyl)-2-(trifluoromethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 69149809
4-(2-fluorophenyl)-3-(trifluoromethyl)benzoyl chloride
CID 46313258
4-(2-fluorophenyl)phthalic acid
CID 71119653
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride
CID 118845542
2-fluoro-4-(2-fluorophenyl)benzamide
CID 46312270
4-methyl-2-(trifluoromethyl)benzoyl chloride
CID 2775606
4-(2-fluorophenyl)-2-(trifluoromethoxy)benzoic acid
CID 46314414
2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134620153
5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride
CID 118806458
4-chloro-2-[4-fluoro-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228331

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride?
The IUPAC name of 4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride (CID 46313255) is 4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride.
What is the SMILES notation for 4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride?
The canonical SMILES for 4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride is O=C(Cl)c1ccc(-c2ccccc2F)cc1C(F)(F)F.
What is the InChIKey of 4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride?
The InChIKey is DFTALGSBDOLXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF4O/c15-13(20)10-6-5-8(7-11(10)14(17,18)19)9-3-1-2-4-12(9)16/h1-7H.
What are the key properties of 4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride?
4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride has a molecular weight of 302.65 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride is sourced from PubChem (CID 46313255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).