3-chloro-2-[2-(trifluoromethyl)phenyl]benzoyl chloride

C14H7Cl2F3O — CID 134630863

IUPAC3-chloro-2-[2-(trifluoromethyl)phenyl]benzoyl chloride
SMILESO=C(Cl)c1cccc(Cl)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H7Cl2F3O/c15-11-7-3-5-9(13(16)20)12(11)8-4-1-2-6-10(8)14(17,18)19/h1-7H
InChIKeyRGKCBKRACBUXGT-UHFFFAOYSA-N
MW319.11 g/mol
LogP5.40
Rot. Bonds2

About 3-chloro-2-[2-(trifluoromethyl)phenyl]benzoyl chloride

3-chloro-2-[2-(trifluoromethyl)phenyl]benzoyl chloride (PubChem CID 134630863) has the molecular formula C14H7Cl2F3O and a molecular weight of 319.11 g/mol. Its IUPAC name is 3-chloro-2-[2-(trifluoromethyl)phenyl]benzoyl chloride.

Molecular Properties

Compound Name3-chloro-2-[2-(trifluoromethyl)phenyl]benzoyl chloride
PubChem CID134630863
Molecular FormulaC14H7Cl2F3O
Molecular Weight319.11 g/mol
Exact Mass317.98
IUPAC Name3-chloro-2-[2-(trifluoromethyl)phenyl]benzoyl chloride
SMILESO=C(Cl)c1cccc(Cl)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H7Cl2F3O/c15-11-7-3-5-9(13(16)20)12(11)8-4-1-2-6-10(8)14(17,18)19/h1-7H
InChIKeyRGKCBKRACBUXGT-UHFFFAOYSA-N
XLogP5.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.11
LogP ≤ 55.40
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

2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134620153
2-fluoro-3-(trifluoromethyl)benzoyl chloride
CID 2737559
4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134630869
3-chloro-N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]aniline
CID 134615440
3-methyl-2-[2-(trifluoromethyl)phenyl]benzoic acid
CID 67230455
3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134617336
2-nitro-3-(trifluoromethyl)benzoyl chloride
CID 131870239
(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344618
1-chloro-2-(trifluoromethyl)benzene
CID 6921
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(trifluoromethyl)phenyl]benzoyl chloride?
The IUPAC name of 3-chloro-2-[2-(trifluoromethyl)phenyl]benzoyl chloride (CID 134630863) is 3-chloro-2-[2-(trifluoromethyl)phenyl]benzoyl chloride.
What is the SMILES notation for 3-chloro-2-[2-(trifluoromethyl)phenyl]benzoyl chloride?
The canonical SMILES for 3-chloro-2-[2-(trifluoromethyl)phenyl]benzoyl chloride is O=C(Cl)c1cccc(Cl)c1-c1ccccc1C(F)(F)F.
What is the InChIKey of 3-chloro-2-[2-(trifluoromethyl)phenyl]benzoyl chloride?
The InChIKey is RGKCBKRACBUXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3O/c15-11-7-3-5-9(13(16)20)12(11)8-4-1-2-6-10(8)14(17,18)19/h1-7H.
What are the key properties of 3-chloro-2-[2-(trifluoromethyl)phenyl]benzoyl chloride?
3-chloro-2-[2-(trifluoromethyl)phenyl]benzoyl chloride has a molecular weight of 319.11 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(trifluoromethyl)phenyl]benzoyl chloride is sourced from PubChem (CID 134630863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).