(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone

C14H16BrFO — CID 106829761

IUPAC(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)c2cccc(Br)c2F)CCCCC1
InChIInChI=1S/C14H16BrFO/c1-14(8-3-2-4-9-14)13(17)10-6-5-7-11(15)12(10)16/h5-7H,2-4,8-9H2,1H3
InChIKeyAWBWQQPAJFRNRO-UHFFFAOYSA-N
MW299.18 g/mol
LogP4.74
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone

(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone (PubChem CID 106829761) has the molecular formula C14H16BrFO and a molecular weight of 299.18 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone
PubChem CID106829761
Molecular FormulaC14H16BrFO
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC Name(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)c2cccc(Br)c2F)CCCCC1
InChIInChI=1S/C14H16BrFO/c1-14(8-3-2-4-9-14)13(17)10-6-5-7-11(15)12(10)16/h5-7H,2-4,8-9H2,1H3
InChIKeyAWBWQQPAJFRNRO-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone
CID 107515108
(3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 106647512
(2-chlorophenyl)-(1-methylcyclohexyl)methanone
CID 22173260
2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106647185
3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 106548037
(3-bromo-2-fluorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 107952535
3-bromo-N-(1-cyanocycloheptyl)-2-fluorobenzamide
CID 106547595
[1-(4-aminophenyl)cyclopropyl]-(3-bromo-2-fluorophenyl)methanone
CID 106647286
(4-bromo-5-chloro-2-fluorophenyl)-(1-methylcyclopentyl)methanone
CID 105398359
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
3-bromo-N-[1-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 107956670
2-(azepan-1-yl)-1-(3-bromo-2-fluorophenyl)-2-methylpropan-1-one
CID 106644857

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone (CID 106829761) is (3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone is CC1(C(=O)c2cccc(Br)c2F)CCCCC1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone?
The InChIKey is AWBWQQPAJFRNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFO/c1-14(8-3-2-4-9-14)13(17)10-6-5-7-11(15)12(10)16/h5-7H,2-4,8-9H2,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone?
(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone has a molecular weight of 299.18 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 106829761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).