2-(3-bromo-4-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanone

C15H10BrF3O2 — CID 115736473

IUPAC2-(3-bromo-4-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1ccc(F)c(Br)c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H10BrF3O2/c16-12-6-9(4-5-13(12)17)7-14(20)10-2-1-3-11(8-10)21-15(18)19/h1-6,8,15H,7H2
InChIKeyMTTDBNDNALQKHB-UHFFFAOYSA-N
MW359.14 g/mol
LogP4.61
Rot. Bonds5

About 2-(3-bromo-4-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanone

2-(3-bromo-4-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanone (PubChem CID 115736473) has the molecular formula C15H10BrF3O2 and a molecular weight of 359.14 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanone
PubChem CID115736473
Molecular FormulaC15H10BrF3O2
Molecular Weight359.14 g/mol
Exact Mass357.98
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1ccc(F)c(Br)c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H10BrF3O2/c16-12-6-9(4-5-13(12)17)7-14(20)10-2-1-3-11(8-10)21-15(18)19/h1-6,8,15H,7H2
InChIKeyMTTDBNDNALQKHB-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

1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
2-(3-bromo-4-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 63411740
2-[4-(difluoromethoxy)phenyl]-1-phenylethanone
CID 86101125
1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 79737324
2-(4-chlorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 63411353
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone
CID 114964825
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103805205
1-[3-(difluoromethoxy)phenyl]-5,5,5-trifluoropentan-1-one
CID 115792223
N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide
CID 2092118
3-amino-1-[3-(difluoromethoxy)phenyl]butan-1-one
CID 81463565
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736596

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanone?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanone (CID 115736473) is 2-(3-bromo-4-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanone?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanone is O=C(Cc1ccc(F)c(Br)c1)c1cccc(OC(F)F)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanone?
The InChIKey is MTTDBNDNALQKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3O2/c16-12-6-9(4-5-13(12)17)7-14(20)10-2-1-3-11(8-10)21-15(18)19/h1-6,8,15H,7H2.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanone?
2-(3-bromo-4-fluorophenyl)-1-[3-(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-(3-bromo-4-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 115736473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).