6-methyl-2,3-bis(trifluoromethyl)benzoyl chloride

C10H5ClF6O — CID 118849301

IUPAC6-methyl-2,3-bis(trifluoromethyl)benzoyl chloride
SMILESCc1ccc(C(F)(F)F)c(C(F)(F)F)c1C(=O)Cl
InChIInChI=1S/C10H5ClF6O/c1-4-2-3-5(9(12,13)14)7(10(15,16)17)6(4)8(11)18/h2-3H,1H3
InChIKeyNNVGSJFJLXZTAK-UHFFFAOYSA-N
MW290.59 g/mol
LogP4.41
Rot. Bonds1

About 6-methyl-2,3-bis(trifluoromethyl)benzoyl chloride

6-methyl-2,3-bis(trifluoromethyl)benzoyl chloride (PubChem CID 118849301) has the molecular formula C10H5ClF6O and a molecular weight of 290.59 g/mol. Its IUPAC name is 6-methyl-2,3-bis(trifluoromethyl)benzoyl chloride.

Molecular Properties

Compound Name6-methyl-2,3-bis(trifluoromethyl)benzoyl chloride
PubChem CID118849301
Molecular FormulaC10H5ClF6O
Molecular Weight290.59 g/mol
Exact Mass289.99
IUPAC Name6-methyl-2,3-bis(trifluoromethyl)benzoyl chloride
SMILESCc1ccc(C(F)(F)F)c(C(F)(F)F)c1C(=O)Cl
InChIInChI=1S/C10H5ClF6O/c1-4-2-3-5(9(12,13)14)7(10(15,16)17)6(4)8(11)18/h2-3H,1H3
InChIKeyNNVGSJFJLXZTAK-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 54.41
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-hydroxy-3,6-bis(trifluoromethyl)benzoyl chloride
CID 134639153
2,6-dimethyl-3-(trifluoromethyl)benzoic acid;ethane
CID 170757552
2,3,6-trimethylbenzoyl chloride
CID 20662008
6-ethyl-2,3-bis(trifluoromethyl)benzoic acid
CID 119018149
2-(2-chloroacetyl)-3-methyl-6-(trifluoromethyl)benzaldehyde
CID 171014814
6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride
CID 171002787
2-iodo-3,6-dimethylbenzoyl chloride
CID 171002077
3-cyano-4-methyl-2-(trifluoromethyl)benzoyl chloride
CID 171028208
3-amino-2-bromo-6-(trifluoromethyl)benzoyl chloride
CID 134624095
2-bromo-3-fluoro-6-methylbenzoyl chloride
CID 171033248
3-chloro-6-methoxy-2-(trifluoromethyl)benzoyl chloride
CID 171002680
2,6-difluoro-3,4,5-tris(trifluoromethyl)benzoyl chloride
CID 141293558

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-bis(trifluoromethyl)benzoyl chloride?
The IUPAC name of 6-methyl-2,3-bis(trifluoromethyl)benzoyl chloride (CID 118849301) is 6-methyl-2,3-bis(trifluoromethyl)benzoyl chloride.
What is the SMILES notation for 6-methyl-2,3-bis(trifluoromethyl)benzoyl chloride?
The canonical SMILES for 6-methyl-2,3-bis(trifluoromethyl)benzoyl chloride is Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1C(=O)Cl.
What is the InChIKey of 6-methyl-2,3-bis(trifluoromethyl)benzoyl chloride?
The InChIKey is NNVGSJFJLXZTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF6O/c1-4-2-3-5(9(12,13)14)7(10(15,16)17)6(4)8(11)18/h2-3H,1H3.
What are the key properties of 6-methyl-2,3-bis(trifluoromethyl)benzoyl chloride?
6-methyl-2,3-bis(trifluoromethyl)benzoyl chloride has a molecular weight of 290.59 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-bis(trifluoromethyl)benzoyl chloride is sourced from PubChem (CID 118849301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).