[2-bromo-2-[2-(trifluoromethyl)cyclohexyl]ethyl]benzene

C15H18BrF3 — CID 104622691

IUPAC[2-bromo-2-[2-(trifluoromethyl)cyclohexyl]ethyl]benzene
SMILESFC(F)(F)C1CCCCC1C(Br)Cc1ccccc1
InChIInChI=1S/C15H18BrF3/c16-14(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(17,18)19/h1-3,6-7,12-14H,4-5,8-10H2
InChIKeyJURNYZTVFDZPDS-UHFFFAOYSA-N
MW335.21 g/mol
LogP5.36
Rot. Bonds3

About [2-bromo-2-[2-(trifluoromethyl)cyclohexyl]ethyl]benzene

[2-bromo-2-[2-(trifluoromethyl)cyclohexyl]ethyl]benzene (PubChem CID 104622691) has the molecular formula C15H18BrF3 and a molecular weight of 335.21 g/mol. Its IUPAC name is [2-bromo-2-[2-(trifluoromethyl)cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name[2-bromo-2-[2-(trifluoromethyl)cyclohexyl]ethyl]benzene
PubChem CID104622691
Molecular FormulaC15H18BrF3
Molecular Weight335.21 g/mol
Exact Mass334.05
IUPAC Name[2-bromo-2-[2-(trifluoromethyl)cyclohexyl]ethyl]benzene
SMILESFC(F)(F)C1CCCCC1C(Br)Cc1ccccc1
InChIInChI=1S/C15H18BrF3/c16-14(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(17,18)19/h1-3,6-7,12-14H,4-5,8-10H2
InChIKeyJURNYZTVFDZPDS-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.21
LogP ≤ 55.36
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

N-ethyl-2-phenyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 104622288
[2-pyridin-3-yl-1-[2-(trifluoromethyl)cyclohexyl]ethyl]hydrazine
CID 105333794
2-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 104622284
[2-(4-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]hydrazine
CID 105283838
2-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]pyridine
CID 104622945
3-(1-bromo-2-phenylethyl)oxolane
CID 63018732
2-(2-bromo-2-cyclopentylethyl)naphthalene
CID 63543408
[3,3,3-trifluoro-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfanylpropyl]benzene
CID 71651377
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
1-cyclopentyl-2-phenylethanamine
CID 50988646
2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 104622655
3-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]thiophene
CID 113434009

Frequently Asked Questions

What is the IUPAC name of [2-bromo-2-[2-(trifluoromethyl)cyclohexyl]ethyl]benzene?
The IUPAC name of [2-bromo-2-[2-(trifluoromethyl)cyclohexyl]ethyl]benzene (CID 104622691) is [2-bromo-2-[2-(trifluoromethyl)cyclohexyl]ethyl]benzene.
What is the SMILES notation for [2-bromo-2-[2-(trifluoromethyl)cyclohexyl]ethyl]benzene?
The canonical SMILES for [2-bromo-2-[2-(trifluoromethyl)cyclohexyl]ethyl]benzene is FC(F)(F)C1CCCCC1C(Br)Cc1ccccc1.
What is the InChIKey of [2-bromo-2-[2-(trifluoromethyl)cyclohexyl]ethyl]benzene?
The InChIKey is JURNYZTVFDZPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrF3/c16-14(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(17,18)19/h1-3,6-7,12-14H,4-5,8-10H2.
What are the key properties of [2-bromo-2-[2-(trifluoromethyl)cyclohexyl]ethyl]benzene?
[2-bromo-2-[2-(trifluoromethyl)cyclohexyl]ethyl]benzene has a molecular weight of 335.21 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-2-[2-(trifluoromethyl)cyclohexyl]ethyl]benzene is sourced from PubChem (CID 104622691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).