4-(2-fluorophenyl)-3-(trifluoromethyl)benzoyl chloride

C14H7ClF4O — CID 46313258

IUPAC4-(2-fluorophenyl)-3-(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(-c2ccccc2F)c(C(F)(F)F)c1
InChIInChI=1S/C14H7ClF4O/c15-13(20)8-5-6-9(11(7-8)14(17,18)19)10-3-1-2-4-12(10)16/h1-7H
InChIKeyNNMCGRKQWKLRPQ-UHFFFAOYSA-N
MW302.65 g/mol
LogP4.89
Rot. Bonds2

About 4-(2-fluorophenyl)-3-(trifluoromethyl)benzoyl chloride

4-(2-fluorophenyl)-3-(trifluoromethyl)benzoyl chloride (PubChem CID 46313258) has the molecular formula C14H7ClF4O and a molecular weight of 302.65 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3-(trifluoromethyl)benzoyl chloride.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3-(trifluoromethyl)benzoyl chloride
PubChem CID46313258
Molecular FormulaC14H7ClF4O
Molecular Weight302.65 g/mol
Exact Mass302.01
IUPAC Name4-(2-fluorophenyl)-3-(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(-c2ccccc2F)c(C(F)(F)F)c1
InChIInChI=1S/C14H7ClF4O/c15-13(20)8-5-6-9(11(7-8)14(17,18)19)10-3-1-2-4-12(10)16/h1-7H
InChIKeyNNMCGRKQWKLRPQ-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

3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134617336
4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134630869
3-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 2734709
4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride
CID 46313255
1-(2-fluorophenyl)-4-nitro-2-(trifluoromethyl)benzene
CID 46314596
biphenylene-2,7-dicarbonyl chloride
CID 59041868
3-fluoro-4-[3-(trifluoromethyl)phenyl]benzoyl chloride
CID 134620216
2,2-difluoro-2-[2-(2-fluorophenyl)phenyl]acetic acid
CID 58434081
methyl 3-chloro-4-[2-(trifluoromethyl)phenyl]benzoate
CID 66718347
1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone
CID 118329320
1-[4-phenyl-3-(trifluoromethyl)phenyl]ethanone
CID 118411799
2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134620153

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-3-(trifluoromethyl)benzoyl chloride?
The IUPAC name of 4-(2-fluorophenyl)-3-(trifluoromethyl)benzoyl chloride (CID 46313258) is 4-(2-fluorophenyl)-3-(trifluoromethyl)benzoyl chloride.
What is the SMILES notation for 4-(2-fluorophenyl)-3-(trifluoromethyl)benzoyl chloride?
The canonical SMILES for 4-(2-fluorophenyl)-3-(trifluoromethyl)benzoyl chloride is O=C(Cl)c1ccc(-c2ccccc2F)c(C(F)(F)F)c1.
What is the InChIKey of 4-(2-fluorophenyl)-3-(trifluoromethyl)benzoyl chloride?
The InChIKey is NNMCGRKQWKLRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF4O/c15-13(20)8-5-6-9(11(7-8)14(17,18)19)10-3-1-2-4-12(10)16/h1-7H.
What are the key properties of 4-(2-fluorophenyl)-3-(trifluoromethyl)benzoyl chloride?
4-(2-fluorophenyl)-3-(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)-3-(trifluoromethyl)benzoyl chloride is sourced from PubChem (CID 46313258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).