1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one

C15H10BrClF2O — CID 63410030

IUPAC1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
SMILESO=C(Cc1cc(F)ccc1Br)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H10BrClF2O/c16-13-5-4-10(18)6-9(13)7-11(20)8-12-14(17)2-1-3-15(12)19/h1-6H,7-8H2
InChIKeyIRKGWQKTCGYEIB-UHFFFAOYSA-N
MW359.60 g/mol
LogP4.74
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one

1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one (PubChem CID 63410030) has the molecular formula C15H10BrClF2O and a molecular weight of 359.60 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
PubChem CID63410030
Molecular FormulaC15H10BrClF2O
Molecular Weight359.60 g/mol
Exact Mass357.96
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
SMILESO=C(Cc1cc(F)ccc1Br)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H10BrClF2O/c16-13-5-4-10(18)6-9(13)7-11(20)8-12-14(17)2-1-3-15(12)19/h1-6H,7-8H2
InChIKeyIRKGWQKTCGYEIB-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.60
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 62621399
1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105373192
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
CID 63411519
1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one
CID 61496497
1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 61496199
1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 62621730
N-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 28938648
1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one
CID 118843600
1-(3-bromo-2,6-difluorophenyl)-3-(2,4-difluorophenyl)propan-2-one
CID 106266079
1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one
CID 65328007
1-(2-bromo-4-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 82803394
1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
CID 63410719

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one (CID 63410030) is 1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one is O=C(Cc1cc(F)ccc1Br)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one?
The InChIKey is IRKGWQKTCGYEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF2O/c16-13-5-4-10(18)6-9(13)7-11(20)8-12-14(17)2-1-3-15(12)19/h1-6H,7-8H2.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one?
1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one has a molecular weight of 359.60 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one is sourced from PubChem (CID 63410030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).