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

C14H7Cl2F3O2 — CID 134619623

IUPAC2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride
SMILESO=C(Cl)c1cccc(-c2cccc(OC(F)(F)F)c2)c1Cl
InChIInChI=1S/C14H7Cl2F3O2/c15-12-10(5-2-6-11(12)13(16)20)8-3-1-4-9(7-8)21-14(17,18)19/h1-7H
InChIKeyWCWNJMJZJQVNCU-UHFFFAOYSA-N
MW335.11 g/mol
LogP5.28
Rot. Bonds3

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

2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride (PubChem CID 134619623) has the molecular formula C14H7Cl2F3O2 and a molecular weight of 335.11 g/mol. Its IUPAC name is 2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride.

Molecular Properties

Compound Name2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride
PubChem CID134619623
Molecular FormulaC14H7Cl2F3O2
Molecular Weight335.11 g/mol
Exact Mass333.98
IUPAC Name2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride
SMILESO=C(Cl)c1cccc(-c2cccc(OC(F)(F)F)c2)c1Cl
InChIInChI=1S/C14H7Cl2F3O2/c15-12-10(5-2-6-11(12)13(16)20)8-3-1-4-9(7-8)21-14(17,18)19/h1-7H
InChIKeyWCWNJMJZJQVNCU-UHFFFAOYSA-N
XLogP5.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.11
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(difluoromethyl)-3-[3-(trifluoromethoxy)phenyl]benzene
CID 134619600
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoyl chloride
CID 134620203
5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide
CID 134627963
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
2-[2-chloro-3-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 119009643
2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228236
[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid
CID 69313407
3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 133091466
2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228226
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53211302

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride?
The IUPAC name of 2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride (CID 134619623) is 2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride.
What is the SMILES notation for 2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride?
The canonical SMILES for 2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride is O=C(Cl)c1cccc(-c2cccc(OC(F)(F)F)c2)c1Cl.
What is the InChIKey of 2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride?
The InChIKey is WCWNJMJZJQVNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3O2/c15-12-10(5-2-6-11(12)13(16)20)8-3-1-4-9(7-8)21-14(17,18)19/h1-7H.
What are the key properties of 2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride?
2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride has a molecular weight of 335.11 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride is sourced from PubChem (CID 134619623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).