[2-(4-bromo-2-fluorophenyl)cyclopropyl]-(2,6-difluorophenyl)methanone

C16H10BrF3O — CID 58664416

IUPAC[2-(4-bromo-2-fluorophenyl)cyclopropyl]-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)C1CC1c1ccc(Br)cc1F
InChIInChI=1S/C16H10BrF3O/c17-8-4-5-9(14(20)6-8)10-7-11(10)16(21)15-12(18)2-1-3-13(15)19/h1-6,10-11H,7H2
InChIKeyBWBKHKGNLJLZQP-UHFFFAOYSA-N
MW355.15 g/mol
LogP4.85
Rot. Bonds3

About [2-(4-bromo-2-fluorophenyl)cyclopropyl]-(2,6-difluorophenyl)methanone

[2-(4-bromo-2-fluorophenyl)cyclopropyl]-(2,6-difluorophenyl)methanone (PubChem CID 58664416) has the molecular formula C16H10BrF3O and a molecular weight of 355.15 g/mol. Its IUPAC name is [2-(4-bromo-2-fluorophenyl)cyclopropyl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-(4-bromo-2-fluorophenyl)cyclopropyl]-(2,6-difluorophenyl)methanone
PubChem CID58664416
Molecular FormulaC16H10BrF3O
Molecular Weight355.15 g/mol
Exact Mass353.99
IUPAC Name[2-(4-bromo-2-fluorophenyl)cyclopropyl]-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)C1CC1c1ccc(Br)cc1F
InChIInChI=1S/C16H10BrF3O/c17-8-4-5-9(14(20)6-8)10-7-11(10)16(21)15-12(18)2-1-3-13(15)19/h1-6,10-11H,7H2
InChIKeyBWBKHKGNLJLZQP-UHFFFAOYSA-N
XLogP4.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-bromo-2-fluorophenyl)cyclopropyl]ethanone
CID 43364567
(1S)-2-(4-bromo-2-fluorophenyl)cyclohexan-1-ol
CID 70306555
3-(4-bromo-2-fluorophenyl)cyclobutan-1-one
CID 82974023
(4-bromophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methanone
CID 3802471
4-bromo-1-cyclobutyl-2-fluorobenzene
CID 130893148
4-bromo-1-cyclopentyl-2-fluorobenzene
CID 122471293
2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 67289393
2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 158316657
(4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone
CID 114905837
trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 93299464
(1S,6S)-6-(4-bromo-2-fluorobenzoyl)cyclohex-3-ene-1-carboxylic acid
CID 135305918
2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid
CID 81007752

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-fluorophenyl)cyclopropyl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [2-(4-bromo-2-fluorophenyl)cyclopropyl]-(2,6-difluorophenyl)methanone (CID 58664416) is [2-(4-bromo-2-fluorophenyl)cyclopropyl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [2-(4-bromo-2-fluorophenyl)cyclopropyl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [2-(4-bromo-2-fluorophenyl)cyclopropyl]-(2,6-difluorophenyl)methanone is O=C(c1c(F)cccc1F)C1CC1c1ccc(Br)cc1F.
What is the InChIKey of [2-(4-bromo-2-fluorophenyl)cyclopropyl]-(2,6-difluorophenyl)methanone?
The InChIKey is BWBKHKGNLJLZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3O/c17-8-4-5-9(14(20)6-8)10-7-11(10)16(21)15-12(18)2-1-3-13(15)19/h1-6,10-11H,7H2.
What are the key properties of [2-(4-bromo-2-fluorophenyl)cyclopropyl]-(2,6-difluorophenyl)methanone?
[2-(4-bromo-2-fluorophenyl)cyclopropyl]-(2,6-difluorophenyl)methanone has a molecular weight of 355.15 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-fluorophenyl)cyclopropyl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 58664416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).