1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-4-fluoro-2-methylbenzene

C17H24BrF — CID 64766985

IUPAC1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-4-fluoro-2-methylbenzene
SMILESCc1cc(F)ccc1C(C)(C)C1CCC(C)CC1Br
InChIInChI=1S/C17H24BrF/c1-11-5-7-15(16(18)9-11)17(3,4)14-8-6-13(19)10-12(14)2/h6,8,10-11,15-16H,5,7,9H2,1-4H3
InChIKeyYWCNQOITYBNSKT-UHFFFAOYSA-N
MW327.28 g/mol
LogP5.61
Rot. Bonds2

About 1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-4-fluoro-2-methylbenzene

1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-4-fluoro-2-methylbenzene (PubChem CID 64766985) has the molecular formula C17H24BrF and a molecular weight of 327.28 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-4-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-4-fluoro-2-methylbenzene
PubChem CID64766985
Molecular FormulaC17H24BrF
Molecular Weight327.28 g/mol
Exact Mass326.10
IUPAC Name1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-4-fluoro-2-methylbenzene
SMILESCc1cc(F)ccc1C(C)(C)C1CCC(C)CC1Br
InChIInChI=1S/C17H24BrF/c1-11-5-7-15(16(18)9-11)17(3,4)14-8-6-13(19)10-12(14)2/h6,8,10-11,15-16H,5,7,9H2,1-4H3
InChIKeyYWCNQOITYBNSKT-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.28
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-4-fluoro-2-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-2,4-dimethylbenzene
CID 64766451
4-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-1,2-dimethylbenzene
CID 64767076
4-bromo-2-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-1-fluorobenzene
CID 79739320
2-[(1S,2S,4R)-2-bromo-4-methylcyclohexyl]propan-2-ylbenzene
CID 46737239
2-[2-(2-chloro-5-fluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 105395953
3-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]pyridin-2-amine
CID 64766889
7-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-1-benzothiophene
CID 81146586
2-(4-fluoro-2-methylphenyl)propan-2-amine
CID 62790601
1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-3,5-dimethylbenzene
CID 64766276
2-[2-(3,4-difluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 64767577
2-[2-(3-fluoro-5-methylphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
CID 79705337
2-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]pyrazine
CID 64766268

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-4-fluoro-2-methylbenzene?
The IUPAC name of 1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-4-fluoro-2-methylbenzene (CID 64766985) is 1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-4-fluoro-2-methylbenzene.
What is the SMILES notation for 1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-4-fluoro-2-methylbenzene?
The canonical SMILES for 1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-4-fluoro-2-methylbenzene is Cc1cc(F)ccc1C(C)(C)C1CCC(C)CC1Br.
What is the InChIKey of 1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-4-fluoro-2-methylbenzene?
The InChIKey is YWCNQOITYBNSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrF/c1-11-5-7-15(16(18)9-11)17(3,4)14-8-6-13(19)10-12(14)2/h6,8,10-11,15-16H,5,7,9H2,1-4H3.
What are the key properties of 1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-4-fluoro-2-methylbenzene?
1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-4-fluoro-2-methylbenzene has a molecular weight of 327.28 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-4-fluoro-2-methylbenzene is sourced from PubChem (CID 64766985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).