2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride

C9H4ClF5O3 — CID 170997841

IUPAC2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride
SMILESO=C(Cl)c1cc(OC(F)(F)F)ccc1OC(F)F
InChIInChI=1S/C9H4ClF5O3/c10-7(16)5-3-4(18-9(13,14)15)1-2-6(5)17-8(11)12/h1-3,8H
InChIKeyGABOQHXTRJVIMZ-UHFFFAOYSA-N
MW290.57 g/mol
LogP3.57
Rot. Bonds4

About 2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride

2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride (PubChem CID 170997841) has the molecular formula C9H4ClF5O3 and a molecular weight of 290.57 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride
PubChem CID170997841
Molecular FormulaC9H4ClF5O3
Molecular Weight290.57 g/mol
Exact Mass289.98
IUPAC Name2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride
SMILESO=C(Cl)c1cc(OC(F)(F)F)ccc1OC(F)F
InChIInChI=1S/C9H4ClF5O3/c10-7(16)5-3-4(18-9(13,14)15)1-2-6(5)17-8(11)12/h1-3,8H
InChIKeyGABOQHXTRJVIMZ-UHFFFAOYSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.57
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-(trifluoromethoxy)benzoyl chloride
CID 134639003
2-chloro-1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]ethanone
CID 170997940
2-chloro-1-[5-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]propan-1-one
CID 119018232
1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene
CID 170836985
2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid
CID 170998746
1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one
CID 118808993
3-[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]propanoic acid
CID 134621137
2-(difluoromethoxy)-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 170997860
2-(difluoromethoxy)-4-(trifluoromethoxy)aniline
CID 134617226
2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline
CID 165350168
[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine
CID 167715263
3-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propanoic acid
CID 134621121

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride?
The IUPAC name of 2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride (CID 170997841) is 2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride.
What is the SMILES notation for 2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride?
The canonical SMILES for 2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride is O=C(Cl)c1cc(OC(F)(F)F)ccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride?
The InChIKey is GABOQHXTRJVIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF5O3/c10-7(16)5-3-4(18-9(13,14)15)1-2-6(5)17-8(11)12/h1-3,8H.
What are the key properties of 2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride?
2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride has a molecular weight of 290.57 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride is sourced from PubChem (CID 170997841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).