2-fluoro-3-(trifluoromethyl)benzoyl chloride

C8H3ClF4O — CID 2737559

IUPAC2-fluoro-3-(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C8H3ClF4O/c9-7(14)4-2-1-3-5(6(4)10)8(11,12)13/h1-3H
InChIKeyRIKGRFSGIOOYEK-UHFFFAOYSA-N
MW226.56 g/mol
LogP3.22
Rot. Bonds1

About 2-fluoro-3-(trifluoromethyl)benzoyl chloride

2-fluoro-3-(trifluoromethyl)benzoyl chloride (PubChem CID 2737559) has the molecular formula C8H3ClF4O and a molecular weight of 226.56 g/mol. Its IUPAC name is 2-fluoro-3-(trifluoromethyl)benzoyl chloride.

Molecular Properties

Compound Name2-fluoro-3-(trifluoromethyl)benzoyl chloride
PubChem CID2737559
Molecular FormulaC8H3ClF4O
Molecular Weight226.56 g/mol
Exact Mass225.98
IUPAC Name2-fluoro-3-(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C8H3ClF4O/c9-7(14)4-2-1-3-5(6(4)10)8(11,12)13/h1-3H
InChIKeyRIKGRFSGIOOYEK-UHFFFAOYSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.56
LogP ≤ 53.22
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-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134620153
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136
N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681898
3-bromo-2-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 171008057
2-nitro-3-(trifluoromethyl)benzoyl chloride
CID 131870239
N-(diaminomethylidene)-2-fluoro-3-(trifluoromethyl)benzamide
CID 15290113
3-chloro-2-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134630863
3-cyano-2-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 171017082
2-fluoro-N-(3-methylcyclobutyl)-3-(trifluoromethyl)benzamide
CID 113252168
2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide
CID 82723802
2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide
CID 79885826
(4-ethylpiperazin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79884120

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(trifluoromethyl)benzoyl chloride?
The IUPAC name of 2-fluoro-3-(trifluoromethyl)benzoyl chloride (CID 2737559) is 2-fluoro-3-(trifluoromethyl)benzoyl chloride.
What is the SMILES notation for 2-fluoro-3-(trifluoromethyl)benzoyl chloride?
The canonical SMILES for 2-fluoro-3-(trifluoromethyl)benzoyl chloride is O=C(Cl)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-3-(trifluoromethyl)benzoyl chloride?
The InChIKey is RIKGRFSGIOOYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF4O/c9-7(14)4-2-1-3-5(6(4)10)8(11,12)13/h1-3H.
What are the key properties of 2-fluoro-3-(trifluoromethyl)benzoyl chloride?
2-fluoro-3-(trifluoromethyl)benzoyl chloride has a molecular weight of 226.56 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(trifluoromethyl)benzoyl chloride is sourced from PubChem (CID 2737559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).