2-bromo-1-[3-chloro-2-(difluoromethoxy)phenyl]propan-1-one

C10H8BrClF2O2 — CID 134619168

IUPAC2-bromo-1-[3-chloro-2-(difluoromethoxy)phenyl]propan-1-one
SMILESCC(Br)C(=O)c1cccc(Cl)c1OC(F)F
InChIInChI=1S/C10H8BrClF2O2/c1-5(11)8(15)6-3-2-4-7(12)9(6)16-10(13)14/h2-5,10H,1H3
InChIKeyHWMHTKNCENZXRE-UHFFFAOYSA-N
MW313.53 g/mol
LogP3.91
Rot. Bonds4

About 2-bromo-1-[3-chloro-2-(difluoromethoxy)phenyl]propan-1-one

2-bromo-1-[3-chloro-2-(difluoromethoxy)phenyl]propan-1-one (PubChem CID 134619168) has the molecular formula C10H8BrClF2O2 and a molecular weight of 313.53 g/mol. Its IUPAC name is 2-bromo-1-[3-chloro-2-(difluoromethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name2-bromo-1-[3-chloro-2-(difluoromethoxy)phenyl]propan-1-one
PubChem CID134619168
Molecular FormulaC10H8BrClF2O2
Molecular Weight313.53 g/mol
Exact Mass311.94
IUPAC Name2-bromo-1-[3-chloro-2-(difluoromethoxy)phenyl]propan-1-one
SMILESCC(Br)C(=O)c1cccc(Cl)c1OC(F)F
InChIInChI=1S/C10H8BrClF2O2/c1-5(11)8(15)6-3-2-4-7(12)9(6)16-10(13)14/h2-5,10H,1H3
InChIKeyHWMHTKNCENZXRE-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-[2-(difluoromethoxy)-3-(difluoromethyl)phenyl]propan-1-one
CID 134618580
1-[3-bromo-2-(difluoromethoxy)phenyl]-2-chloropropan-1-one
CID 134625182
2-(2-bromopropanoyl)-6-(difluoromethoxy)benzonitrile
CID 170838169
2-bromo-1-[3-chloro-2-(trifluoromethylsulfanyl)phenyl]propan-1-one
CID 119012471
[3-chloro-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118847905
1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone
CID 171027893
2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one
CID 134619294
2-bromo-1-[2-chloro-3-(trifluoromethyl)phenyl]propan-1-one
CID 134619070
3-chloro-2-pentan-3-yloxybenzoic acid
CID 112612073
2-chloro-1-[2-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]propan-1-one
CID 134619492
2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid
CID 112612004
2-chloro-1-[3-chloro-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134617645

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[3-chloro-2-(difluoromethoxy)phenyl]propan-1-one?
The IUPAC name of 2-bromo-1-[3-chloro-2-(difluoromethoxy)phenyl]propan-1-one (CID 134619168) is 2-bromo-1-[3-chloro-2-(difluoromethoxy)phenyl]propan-1-one.
What is the SMILES notation for 2-bromo-1-[3-chloro-2-(difluoromethoxy)phenyl]propan-1-one?
The canonical SMILES for 2-bromo-1-[3-chloro-2-(difluoromethoxy)phenyl]propan-1-one is CC(Br)C(=O)c1cccc(Cl)c1OC(F)F.
What is the InChIKey of 2-bromo-1-[3-chloro-2-(difluoromethoxy)phenyl]propan-1-one?
The InChIKey is HWMHTKNCENZXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClF2O2/c1-5(11)8(15)6-3-2-4-7(12)9(6)16-10(13)14/h2-5,10H,1H3.
What are the key properties of 2-bromo-1-[3-chloro-2-(difluoromethoxy)phenyl]propan-1-one?
2-bromo-1-[3-chloro-2-(difluoromethoxy)phenyl]propan-1-one has a molecular weight of 313.53 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[3-chloro-2-(difluoromethoxy)phenyl]propan-1-one is sourced from PubChem (CID 134619168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).