(4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone

C15H18BrFO — CID 114905837

IUPAC(4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone
SMILESCC1CC(C)CC(C(=O)c2ccc(Br)cc2F)C1
InChIInChI=1S/C15H18BrFO/c1-9-5-10(2)7-11(6-9)15(18)13-4-3-12(16)8-14(13)17/h3-4,8-11H,5-7H2,1-2H3
InChIKeyJKFNHRFXSLXKNA-UHFFFAOYSA-N
MW313.21 g/mol
LogP4.84
Rot. Bonds2

About (4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone

(4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone (PubChem CID 114905837) has the molecular formula C15H18BrFO and a molecular weight of 313.21 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone
PubChem CID114905837
Molecular FormulaC15H18BrFO
Molecular Weight313.21 g/mol
Exact Mass312.05
IUPAC Name(4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone
SMILESCC1CC(C)CC(C(=O)c2ccc(Br)cc2F)C1
InChIInChI=1S/C15H18BrFO/c1-9-5-10(2)7-11(6-9)15(18)13-4-3-12(16)8-14(13)17/h3-4,8-11H,5-7H2,1-2H3
InChIKeyJKFNHRFXSLXKNA-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone
CID 64728885
4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide
CID 64722332
(4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone
CID 114905882
(1S,6S)-6-(4-bromo-2-fluorobenzoyl)cyclohex-3-ene-1-carboxylic acid
CID 135305918
(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanone
CID 114975303
(2-bromo-5-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanone
CID 105105211
(4-bromo-2-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 17446861
2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone
CID 130137043
(4-bromo-2-fluorophenyl)-[1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-yl]methanone
CID 176849358
(2-bromo-3,4-difluorophenyl)-(3-methylcyclohexyl)methanone
CID 107538200
1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one
CID 148880045
(5-bromo-2-fluorophenyl)-cyclohexylmethanone
CID 79742820

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone (CID 114905837) is (4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone is CC1CC(C)CC(C(=O)c2ccc(Br)cc2F)C1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone?
The InChIKey is JKFNHRFXSLXKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFO/c1-9-5-10(2)7-11(6-9)15(18)13-4-3-12(16)8-14(13)17/h3-4,8-11H,5-7H2,1-2H3.
What are the key properties of (4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone?
(4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone has a molecular weight of 313.21 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone is sourced from PubChem (CID 114905837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).