3-chloro-5-fluoro-4-methylbenzoyl chloride

C8H5Cl2FO — CID 130777927

IUPAC3-chloro-5-fluoro-4-methylbenzoyl chloride
SMILESCc1c(F)cc(C(=O)Cl)cc1Cl
InChIInChI=1S/C8H5Cl2FO/c1-4-6(9)2-5(8(10)12)3-7(4)11/h2-3H,1H3
InChIKeyNFMIYJBKGFTZPW-UHFFFAOYSA-N
MW207.03 g/mol
LogP3.17
Rot. Bonds1

About 3-chloro-5-fluoro-4-methylbenzoyl chloride

3-chloro-5-fluoro-4-methylbenzoyl chloride (PubChem CID 130777927) has the molecular formula C8H5Cl2FO and a molecular weight of 207.03 g/mol. Its IUPAC name is 3-chloro-5-fluoro-4-methylbenzoyl chloride.

Molecular Properties

Compound Name3-chloro-5-fluoro-4-methylbenzoyl chloride
PubChem CID130777927
Molecular FormulaC8H5Cl2FO
Molecular Weight207.03 g/mol
Exact Mass205.97
IUPAC Name3-chloro-5-fluoro-4-methylbenzoyl chloride
SMILESCc1c(F)cc(C(=O)Cl)cc1Cl
InChIInChI=1S/C8H5Cl2FO/c1-4-6(9)2-5(8(10)12)3-7(4)11/h2-3H,1H3
InChIKeyNFMIYJBKGFTZPW-UHFFFAOYSA-N
XLogP3.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.03
LogP ≤ 53.17
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-chloro-4-methyl-5-sulfamoylbenzoyl chloride
CID 21394744
1,5-dichloro-3-fluoro-2-methylbenzene;ethane
CID 142574555
1-chloro-5-(difluoromethyl)-3-fluoro-2-methylbenzene
CID 131169868
methyl 3,5-difluoro-4-methylbenzoate
CID 91655032
3-chloro-4,5-difluorobenzoyl fluoride
CID 19850493
3-(3-chloro-5-fluoro-2,6-dimethylphenyl)-2-methylpropanoic acid
CID 84802694
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
CID 113254895
3,4-dichloro-5-methoxybenzoyl chloride
CID 21483940
3,4-dichloro-5-fluorobenzoic acid
CID 50997844
1-chloro-3-fluoro-5-(fluoromethyl)-2-methylbenzene
CID 131073233
methyl 3-chloro-5-hydroxy-4-methylbenzoate
CID 10241910
methyl 3-fluoro-5-hydroxy-4-methylbenzoate
CID 55265589

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-4-methylbenzoyl chloride?
The IUPAC name of 3-chloro-5-fluoro-4-methylbenzoyl chloride (CID 130777927) is 3-chloro-5-fluoro-4-methylbenzoyl chloride.
What is the SMILES notation for 3-chloro-5-fluoro-4-methylbenzoyl chloride?
The canonical SMILES for 3-chloro-5-fluoro-4-methylbenzoyl chloride is Cc1c(F)cc(C(=O)Cl)cc1Cl.
What is the InChIKey of 3-chloro-5-fluoro-4-methylbenzoyl chloride?
The InChIKey is NFMIYJBKGFTZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2FO/c1-4-6(9)2-5(8(10)12)3-7(4)11/h2-3H,1H3.
What are the key properties of 3-chloro-5-fluoro-4-methylbenzoyl chloride?
3-chloro-5-fluoro-4-methylbenzoyl chloride has a molecular weight of 207.03 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-4-methylbenzoyl chloride is sourced from PubChem (CID 130777927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).