4-chloro-2-(difluoromethoxy)benzoyl chloride

C8H4Cl2F2O2 — CID 131010858

IUPAC4-chloro-2-(difluoromethoxy)benzoyl chloride
SMILESO=C(Cl)c1ccc(Cl)cc1OC(F)F
InChIInChI=1S/C8H4Cl2F2O2/c9-4-1-2-5(7(10)13)6(3-4)14-8(11)12/h1-3,8H
InChIKeyMZEGMLNMBAVFAC-UHFFFAOYSA-N
MW241.02 g/mol
LogP3.32
Rot. Bonds3

About 4-chloro-2-(difluoromethoxy)benzoyl chloride

4-chloro-2-(difluoromethoxy)benzoyl chloride (PubChem CID 131010858) has the molecular formula C8H4Cl2F2O2 and a molecular weight of 241.02 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethoxy)benzoyl chloride.

Molecular Properties

Compound Name4-chloro-2-(difluoromethoxy)benzoyl chloride
PubChem CID131010858
Molecular FormulaC8H4Cl2F2O2
Molecular Weight241.02 g/mol
Exact Mass239.96
IUPAC Name4-chloro-2-(difluoromethoxy)benzoyl chloride
SMILESO=C(Cl)c1ccc(Cl)cc1OC(F)F
InChIInChI=1S/C8H4Cl2F2O2/c9-4-1-2-5(7(10)13)6(3-4)14-8(11)12/h1-3,8H
InChIKeyMZEGMLNMBAVFAC-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.02
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-chloro-2-(difluoromethoxy)phenyl]prop-2-en-1-one
CID 139947231
(2,4-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 63492359
4-chloro-2-(difluoromethoxy)aniline
CID 19439738
2,5-dichloro-3-(difluoromethoxy)benzoic acid
CID 119002973
[5-chloro-2-(difluoromethoxy)phenyl]boronic acid
CID 75485810
5-chloro-2-fluorobenzoyl chloride
CID 2773604
2-[(2-carbonochloridoyl-5-chlorophenyl)disulfanyl]-4-chlorobenzoyl chloride
CID 14812487
sodium 3-[5-chloro-2-(difluoromethoxy)phenyl]-3-oxoprop-1-en-1-olate
CID 164672404
4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene
CID 71127951
2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride
CID 170997841
5-chloro-2-(difluoromethoxy)benzenethiol
CID 130775302
2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide
CID 86791806

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethoxy)benzoyl chloride?
The IUPAC name of 4-chloro-2-(difluoromethoxy)benzoyl chloride (CID 131010858) is 4-chloro-2-(difluoromethoxy)benzoyl chloride.
What is the SMILES notation for 4-chloro-2-(difluoromethoxy)benzoyl chloride?
The canonical SMILES for 4-chloro-2-(difluoromethoxy)benzoyl chloride is O=C(Cl)c1ccc(Cl)cc1OC(F)F.
What is the InChIKey of 4-chloro-2-(difluoromethoxy)benzoyl chloride?
The InChIKey is MZEGMLNMBAVFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F2O2/c9-4-1-2-5(7(10)13)6(3-4)14-8(11)12/h1-3,8H.
What are the key properties of 4-chloro-2-(difluoromethoxy)benzoyl chloride?
4-chloro-2-(difluoromethoxy)benzoyl chloride has a molecular weight of 241.02 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethoxy)benzoyl chloride is sourced from PubChem (CID 131010858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).