1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene

C14H18BrFO — CID 63443330

IUPAC1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene
SMILESCOc1ccc(C(Br)C2CCCCC2)c(F)c1
InChIInChI=1S/C14H18BrFO/c1-17-11-7-8-12(13(16)9-11)14(15)10-5-3-2-4-6-10/h7-10,14H,2-6H2,1H3
InChIKeySOJBJUZCJQEHCJ-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.85
Rot. Bonds3

About 1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene

1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene (PubChem CID 63443330) has the molecular formula C14H18BrFO and a molecular weight of 301.20 g/mol. Its IUPAC name is 1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene
PubChem CID63443330
Molecular FormulaC14H18BrFO
Molecular Weight301.20 g/mol
Exact Mass300.05
IUPAC Name1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene
SMILESCOc1ccc(C(Br)C2CCCCC2)c(F)c1
InChIInChI=1S/C14H18BrFO/c1-17-11-7-8-12(13(16)9-11)14(15)10-5-3-2-4-6-10/h7-10,14H,2-6H2,1H3
InChIKeySOJBJUZCJQEHCJ-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[bromo-(2-bromo-4-methoxyphenyl)methyl]cyclooctane
CID 65021185
2-bromo-1-[bromo(cyclobutyl)methyl]-4-methoxybenzene
CID 63443524
[bromo-(2,6-difluoro-4-methoxyphenyl)methyl]cyclooctane
CID 65020983
(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride
CID 171159983
(1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine
CID 81391387
N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 63503561
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]cyclopentanamine
CID 43756493
2-[bromo(cyclohexyl)methyl]-6-methoxynaphthalene
CID 63444266
(1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 171159980
N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561568
(2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 81305445
2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 83154390

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene?
The IUPAC name of 1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene (CID 63443330) is 1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene?
The canonical SMILES for 1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene is COc1ccc(C(Br)C2CCCCC2)c(F)c1.
What is the InChIKey of 1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene?
The InChIKey is SOJBJUZCJQEHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFO/c1-17-11-7-8-12(13(16)9-11)14(15)10-5-3-2-4-6-10/h7-10,14H,2-6H2,1H3.
What are the key properties of 1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene?
1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene has a molecular weight of 301.20 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 1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene is sourced from PubChem (CID 63443330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).