6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride

C9H5Cl2F3O2 — CID 171002787

IUPAC6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride
SMILESCOc1c(C(F)(F)F)ccc(Cl)c1C(=O)Cl
InChIInChI=1S/C9H5Cl2F3O2/c1-16-7-4(9(12,13)14)2-3-5(10)6(7)8(11)15/h2-3H,1H3
InChIKeyQARVKEFGVWSQQV-UHFFFAOYSA-N
MW273.04 g/mol
LogP3.75
Rot. Bonds2

About 6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride

6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride (PubChem CID 171002787) has the molecular formula C9H5Cl2F3O2 and a molecular weight of 273.04 g/mol. Its IUPAC name is 6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride.

Molecular Properties

Compound Name6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride
PubChem CID171002787
Molecular FormulaC9H5Cl2F3O2
Molecular Weight273.04 g/mol
Exact Mass271.96
IUPAC Name6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride
SMILESCOc1c(C(F)(F)F)ccc(Cl)c1C(=O)Cl
InChIInChI=1S/C9H5Cl2F3O2/c1-16-7-4(9(12,13)14)2-3-5(10)6(7)8(11)15/h2-3H,1H3
InChIKeyQARVKEFGVWSQQV-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.04
LogP ≤ 53.75
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-[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 171030175
6-chloro-3-iodo-2-methoxybenzoyl chloride
CID 171003173
[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanol
CID 171003011
3-chloro-6-methoxy-2-(trifluoromethyl)benzoyl chloride
CID 171002680
2-chloro-4-methoxy-6-(trifluoromethyl)benzoyl chloride
CID 171002954
2-hydroxy-3,6-bis(trifluoromethyl)benzoyl chloride
CID 134639153
bis[3-(bromomethyl)-2-methoxy-6-(trifluoromethyl)phenyl]methanone
CID 139698520
2-methoxy-4-(trifluoromethyl)benzene-1,3-dicarboxylic acid
CID 54088454
3-chloro-4-methoxy-5-(trifluoromethyl)benzoic acid
CID 67041821
carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
1-[6-chloro-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone
CID 171009683
1-[4-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 118827634

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride?
The IUPAC name of 6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride (CID 171002787) is 6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride.
What is the SMILES notation for 6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride?
The canonical SMILES for 6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride is COc1c(C(F)(F)F)ccc(Cl)c1C(=O)Cl.
What is the InChIKey of 6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride?
The InChIKey is QARVKEFGVWSQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2F3O2/c1-16-7-4(9(12,13)14)2-3-5(10)6(7)8(11)15/h2-3H,1H3.
What are the key properties of 6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride?
6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride has a molecular weight of 273.04 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride is sourced from PubChem (CID 171002787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).