2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one

C10H8BrF3O2 — CID 134619294

IUPAC2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one
SMILESCC(Br)C(=O)c1cc(F)ccc1OC(F)F
InChIInChI=1S/C10H8BrF3O2/c1-5(11)9(15)7-4-6(12)2-3-8(7)16-10(13)14/h2-5,10H,1H3
InChIKeyKURICDQLNPXVQE-UHFFFAOYSA-N
MW297.07 g/mol
LogP3.39
Rot. Bonds4

About 2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one

2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one (PubChem CID 134619294) has the molecular formula C10H8BrF3O2 and a molecular weight of 297.07 g/mol. Its IUPAC name is 2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one.

Molecular Properties

Compound Name2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one
PubChem CID134619294
Molecular FormulaC10H8BrF3O2
Molecular Weight297.07 g/mol
Exact Mass295.97
IUPAC Name2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one
SMILESCC(Br)C(=O)c1cc(F)ccc1OC(F)F
InChIInChI=1S/C10H8BrF3O2/c1-5(11)9(15)7-4-6(12)2-3-8(7)16-10(13)14/h2-5,10H,1H3
InChIKeyKURICDQLNPXVQE-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 53.39
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-[5-fluoro-2-(trifluoromethoxy)phenyl]propan-1-one
CID 119018750
2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one
CID 134618705
2-bromo-1-[4-(difluoromethoxy)-3-methylphenyl]propan-1-one
CID 135743391
[2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone
CID 43339634
(2S)-2-bromo-1-(2,4-difluorophenyl)propan-1-one
CID 9106630
2-bromo-1-[4-(difluoromethoxy)-3-methoxyphenyl]propan-1-one
CID 19106513
2-bromo-1-[4-(difluoromethoxy)-2-methoxyphenyl]propan-1-one
CID 134619118
1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
CID 118813115
1-chloro-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
CID 131320774
[2-(difluoromethoxy)phenyl]-(2,5-difluorophenyl)methanone
CID 43337454
2-(2-bromopropanoyl)-6-(difluoromethoxy)benzonitrile
CID 170838169
2-bromo-1-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-one
CID 134619123

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one?
The IUPAC name of 2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one (CID 134619294) is 2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one.
What is the SMILES notation for 2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one?
The canonical SMILES for 2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one is CC(Br)C(=O)c1cc(F)ccc1OC(F)F.
What is the InChIKey of 2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one?
The InChIKey is KURICDQLNPXVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O2/c1-5(11)9(15)7-4-6(12)2-3-8(7)16-10(13)14/h2-5,10H,1H3.
What are the key properties of 2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one?
2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one has a molecular weight of 297.07 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one is sourced from PubChem (CID 134619294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).