3-(difluoromethyl)-2-fluorobenzoyl chloride

C8H4ClF3O — CID 151173886

IUPAC3-(difluoromethyl)-2-fluorobenzoyl chloride
SMILESO=C(Cl)c1cccc(C(F)F)c1F
InChIInChI=1S/C8H4ClF3O/c9-7(13)4-2-1-3-5(6(4)10)8(11)12/h1-3,8H
InChIKeyNCVYHYPXDOEMAY-UHFFFAOYSA-N
MW208.57 g/mol
LogP3.14
Rot. Bonds2

About 3-(difluoromethyl)-2-fluorobenzoyl chloride

3-(difluoromethyl)-2-fluorobenzoyl chloride (PubChem CID 151173886) has the molecular formula C8H4ClF3O and a molecular weight of 208.57 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-fluorobenzoyl chloride.

Molecular Properties

Compound Name3-(difluoromethyl)-2-fluorobenzoyl chloride
PubChem CID151173886
Molecular FormulaC8H4ClF3O
Molecular Weight208.57 g/mol
Exact Mass207.99
IUPAC Name3-(difluoromethyl)-2-fluorobenzoyl chloride
SMILESO=C(Cl)c1cccc(C(F)F)c1F
InChIInChI=1S/C8H4ClF3O/c9-7(13)4-2-1-3-5(6(4)10)8(11)12/h1-3,8H
InChIKeyNCVYHYPXDOEMAY-UHFFFAOYSA-N
XLogP3.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.57
LogP ≤ 53.14
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

1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one
CID 126971228
2-fluoro-3-(trifluoromethyl)benzoyl chloride
CID 2737559
2-hydroxy-3-propan-2-ylbenzoyl chloride
CID 154138899
2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid
CID 165489779
1-[3-(difluoromethyl)-2-methylphenyl]ethanone
CID 138750714
2-fluorobenzoyl chloride
CID 9808
2-chloro-1-[3-(difluoromethyl)-2-methylphenyl]propan-1-one
CID 131415290
2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid
CID 165489781
6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
CID 130104341
2-fluoro-3-(3-fluorophenyl)benzoyl chloride
CID 46312371
3-(difluoromethyl)-2-fluoro-N-(2-hydroxy-3-methyl-1-phenylbutyl)benzamide
CID 126836705
2-fluorobenzoyl chloride;hydrochloride
CID 172728813

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-fluorobenzoyl chloride?
The IUPAC name of 3-(difluoromethyl)-2-fluorobenzoyl chloride (CID 151173886) is 3-(difluoromethyl)-2-fluorobenzoyl chloride.
What is the SMILES notation for 3-(difluoromethyl)-2-fluorobenzoyl chloride?
The canonical SMILES for 3-(difluoromethyl)-2-fluorobenzoyl chloride is O=C(Cl)c1cccc(C(F)F)c1F.
What is the InChIKey of 3-(difluoromethyl)-2-fluorobenzoyl chloride?
The InChIKey is NCVYHYPXDOEMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3O/c9-7(13)4-2-1-3-5(6(4)10)8(11)12/h1-3,8H.
What are the key properties of 3-(difluoromethyl)-2-fluorobenzoyl chloride?
3-(difluoromethyl)-2-fluorobenzoyl chloride has a molecular weight of 208.57 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-fluorobenzoyl chloride is sourced from PubChem (CID 151173886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).