2-(2-bromo-5-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanone

C15H10BrF3O2 — CID 114968117

IUPAC2-(2-bromo-5-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1cc(F)ccc1Br)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H10BrF3O2/c16-13-6-3-11(17)7-10(13)8-14(20)9-1-4-12(5-2-9)21-15(18)19/h1-7,15H,8H2
InChIKeyPMQDMLQTYCECRU-UHFFFAOYSA-N
MW359.14 g/mol
LogP4.61
Rot. Bonds5

About 2-(2-bromo-5-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanone

2-(2-bromo-5-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanone (PubChem CID 114968117) has the molecular formula C15H10BrF3O2 and a molecular weight of 359.14 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanone
PubChem CID114968117
Molecular FormulaC15H10BrF3O2
Molecular Weight359.14 g/mol
Exact Mass357.98
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1cc(F)ccc1Br)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H10BrF3O2/c16-13-6-3-11(17)7-10(13)8-14(20)9-1-4-12(5-2-9)21-15(18)19/h1-7,15H,8H2
InChIKeyPMQDMLQTYCECRU-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.14
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 114968196
1-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)sulfanylethanone
CID 55393499
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114329547
2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone
CID 105090104
1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968179
[4-(difluoromethoxy)phenyl]methyl 2-bromo-5-fluorobenzoate
CID 55973507
1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373145
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968175
2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanone
CID 63410238
2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone
CID 65327862
1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376772
1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one
CID 118843600

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanone?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanone (CID 114968117) is 2-(2-bromo-5-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanone?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanone is O=C(Cc1cc(F)ccc1Br)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanone?
The InChIKey is PMQDMLQTYCECRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3O2/c16-13-6-3-11(17)7-10(13)8-14(20)9-1-4-12(5-2-9)21-15(18)19/h1-7,15H,8H2.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanone?
2-(2-bromo-5-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanone has a molecular weight of 359.14 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 114968117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).