1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene

C14H18BrF — CID 63544199

IUPAC1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene
SMILESFc1ccccc1CC(Br)C1CCCCC1
InChIInChI=1S/C14H18BrF/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)16/h4-5,8-9,11,13H,1-3,6-7,10H2
InChIKeyHNLGOQGOMXQJMJ-UHFFFAOYSA-N
MW285.20 g/mol
LogP4.71
Rot. Bonds3

About 1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene

1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene (PubChem CID 63544199) has the molecular formula C14H18BrF and a molecular weight of 285.20 g/mol. Its IUPAC name is 1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene
PubChem CID63544199
Molecular FormulaC14H18BrF
Molecular Weight285.20 g/mol
Exact Mass284.06
IUPAC Name1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene
SMILESFc1ccccc1CC(Br)C1CCCCC1
InChIInChI=1S/C14H18BrF/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)16/h4-5,8-9,11,13H,1-3,6-7,10H2
InChIKeyHNLGOQGOMXQJMJ-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 54.71
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

1-cycloheptyl-2-(2-fluorophenyl)ethanamine
CID 62590179
1-(2-bromo-2-cyclohexylethyl)-2-nitrobenzene
CID 63544135
N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine
CID 104979808
1-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-2-fluorobenzene
CID 107003139
N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine
CID 115592320
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine
CID 65139996
1-cyclohexyl-2-[(2-fluorophenyl)methoxy]ethanol
CID 104753717
N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61063838
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
1-(2-bromo-2-cyclobutylethyl)-4-fluorobenzene
CID 63018171
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene?
The IUPAC name of 1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene (CID 63544199) is 1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene.
What is the SMILES notation for 1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene?
The canonical SMILES for 1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene is Fc1ccccc1CC(Br)C1CCCCC1.
What is the InChIKey of 1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene?
The InChIKey is HNLGOQGOMXQJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)16/h4-5,8-9,11,13H,1-3,6-7,10H2.
What are the key properties of 1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene?
1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene has a molecular weight of 285.20 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene is sourced from PubChem (CID 63544199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).