4-chloro-5-fluoro-2-(trifluoromethyl)benzoyl chloride

C8H2Cl2F4O — CID 171009076

IUPAC4-chloro-5-fluoro-2-(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1cc(F)c(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H2Cl2F4O/c9-5-2-4(8(12,13)14)3(7(10)15)1-6(5)11/h1-2H
InChIKeyLYCUWQYRHGJAIG-UHFFFAOYSA-N
MW261.00 g/mol
LogP3.88
Rot. Bonds1

About 4-chloro-5-fluoro-2-(trifluoromethyl)benzoyl chloride

4-chloro-5-fluoro-2-(trifluoromethyl)benzoyl chloride (PubChem CID 171009076) has the molecular formula C8H2Cl2F4O and a molecular weight of 261.00 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-(trifluoromethyl)benzoyl chloride.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-(trifluoromethyl)benzoyl chloride
PubChem CID171009076
Molecular FormulaC8H2Cl2F4O
Molecular Weight261.00 g/mol
Exact Mass259.94
IUPAC Name4-chloro-5-fluoro-2-(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1cc(F)c(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H2Cl2F4O/c9-5-2-4(8(12,13)14)3(7(10)15)1-6(5)11/h1-2H
InChIKeyLYCUWQYRHGJAIG-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.00
LogP ≤ 53.88
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

(4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114971329
5-chloro-4-fluoro-2-iodobenzoyl chloride
CID 171003642
4-methyl-2-(trifluoromethyl)benzoyl chloride
CID 2775606
4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride
CID 46313255
2,2,2-trifluoroethyl 2,4-dichloro-5-fluorobenzoate
CID 22149753
5-formyl-4-iodo-2-(trifluoromethyl)benzoyl chloride
CID 171021507
6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride
CID 87455847
1-[4-chloro-5-methyl-2-(trifluoromethyl)phenyl]ethanone
CID 171003757
5-chloro-2-fluoro-4-(trifluoromethyl)benzamide
CID 168990948
2-fluoro-3-(trifluoromethyl)benzoyl chloride
CID 2737559
3-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 2734709
1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene
CID 171001576

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-(trifluoromethyl)benzoyl chloride?
The IUPAC name of 4-chloro-5-fluoro-2-(trifluoromethyl)benzoyl chloride (CID 171009076) is 4-chloro-5-fluoro-2-(trifluoromethyl)benzoyl chloride.
What is the SMILES notation for 4-chloro-5-fluoro-2-(trifluoromethyl)benzoyl chloride?
The canonical SMILES for 4-chloro-5-fluoro-2-(trifluoromethyl)benzoyl chloride is O=C(Cl)c1cc(F)c(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-5-fluoro-2-(trifluoromethyl)benzoyl chloride?
The InChIKey is LYCUWQYRHGJAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl2F4O/c9-5-2-4(8(12,13)14)3(7(10)15)1-6(5)11/h1-2H.
What are the key properties of 4-chloro-5-fluoro-2-(trifluoromethyl)benzoyl chloride?
4-chloro-5-fluoro-2-(trifluoromethyl)benzoyl chloride has a molecular weight of 261.00 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-(trifluoromethyl)benzoyl chloride is sourced from PubChem (CID 171009076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).