4-[(2-bromo-5-ethylcyclohexyl)methyl]-1-chloro-2-fluorobenzene

C15H19BrClF — CID 107897027

IUPAC4-[(2-bromo-5-ethylcyclohexyl)methyl]-1-chloro-2-fluorobenzene
SMILESCCC1CCC(Br)C(Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C15H19BrClF/c1-2-10-3-5-13(16)12(7-10)8-11-4-6-14(17)15(18)9-11/h4,6,9-10,12-13H,2-3,5,7-8H2,1H3
InChIKeyUZKHCXPZHSXWGW-UHFFFAOYSA-N
MW333.67 g/mol
LogP5.61
Rot. Bonds3

About 4-[(2-bromo-5-ethylcyclohexyl)methyl]-1-chloro-2-fluorobenzene

4-[(2-bromo-5-ethylcyclohexyl)methyl]-1-chloro-2-fluorobenzene (PubChem CID 107897027) has the molecular formula C15H19BrClF and a molecular weight of 333.67 g/mol. Its IUPAC name is 4-[(2-bromo-5-ethylcyclohexyl)methyl]-1-chloro-2-fluorobenzene.

Molecular Properties

Compound Name4-[(2-bromo-5-ethylcyclohexyl)methyl]-1-chloro-2-fluorobenzene
PubChem CID107897027
Molecular FormulaC15H19BrClF
Molecular Weight333.67 g/mol
Exact Mass332.03
IUPAC Name4-[(2-bromo-5-ethylcyclohexyl)methyl]-1-chloro-2-fluorobenzene
SMILESCCC1CCC(Br)C(Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C15H19BrClF/c1-2-10-3-5-13(16)12(7-10)8-11-4-6-14(17)15(18)9-11/h4,6,9-10,12-13H,2-3,5,7-8H2,1H3
InChIKeyUZKHCXPZHSXWGW-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.67
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-bromo-5-ethylcyclohexyl)methyl]-1,2-difluorobenzene
CID 82930424
4-[(2-bromo-5-propylcyclohexyl)methyl]-2-fluoro-1-methoxybenzene
CID 63473181
1-chloro-4-[(3-chlorocyclopentyl)methyl]-2-fluorobenzene
CID 107888265
1-chloro-4-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 63461866
1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 107883803
3-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-amine
CID 107888146
N-[[2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 107889369
[4-tert-butyl-2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 107889301
3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine
CID 107888168
1-[(2-chloro-5-ethylcyclohexyl)methyl]-3-fluorobenzene
CID 63461163
1-bromo-3-[(2-chloro-5-ethylcyclohexyl)methyl]-5-fluorobenzene
CID 79709081
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-ethylcyclohexyl)methyl]-1-chloro-2-fluorobenzene?
The IUPAC name of 4-[(2-bromo-5-ethylcyclohexyl)methyl]-1-chloro-2-fluorobenzene (CID 107897027) is 4-[(2-bromo-5-ethylcyclohexyl)methyl]-1-chloro-2-fluorobenzene.
What is the SMILES notation for 4-[(2-bromo-5-ethylcyclohexyl)methyl]-1-chloro-2-fluorobenzene?
The canonical SMILES for 4-[(2-bromo-5-ethylcyclohexyl)methyl]-1-chloro-2-fluorobenzene is CCC1CCC(Br)C(Cc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 4-[(2-bromo-5-ethylcyclohexyl)methyl]-1-chloro-2-fluorobenzene?
The InChIKey is UZKHCXPZHSXWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClF/c1-2-10-3-5-13(16)12(7-10)8-11-4-6-14(17)15(18)9-11/h4,6,9-10,12-13H,2-3,5,7-8H2,1H3.
What are the key properties of 4-[(2-bromo-5-ethylcyclohexyl)methyl]-1-chloro-2-fluorobenzene?
4-[(2-bromo-5-ethylcyclohexyl)methyl]-1-chloro-2-fluorobenzene has a molecular weight of 333.67 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-ethylcyclohexyl)methyl]-1-chloro-2-fluorobenzene is sourced from PubChem (CID 107897027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).