1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene

C13H16BrF — CID 84730103

IUPAC1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene
SMILESFCC1(c2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C13H16BrF/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h4-7H,1-3,8-10H2
InChIKeyXHDDZVXSXSUEOJ-UHFFFAOYSA-N
MW271.17 g/mol
LogP4.62
Rot. Bonds2

About 1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene

1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene (PubChem CID 84730103) has the molecular formula C13H16BrF and a molecular weight of 271.17 g/mol. Its IUPAC name is 1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene
PubChem CID84730103
Molecular FormulaC13H16BrF
Molecular Weight271.17 g/mol
Exact Mass270.04
IUPAC Name1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene
SMILESFCC1(c2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C13H16BrF/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h4-7H,1-3,8-10H2
InChIKeyXHDDZVXSXSUEOJ-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(4-bromophenyl)-4-(fluoromethyl)oxane
CID 67363098
1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene
CID 82094186
[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067
4-[1-(fluoromethyl)cyclopentyl]benzaldehyde
CID 84722310
N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 55196888
1-[1-(4-bromophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 115049926
1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine
CID 65007341
N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 55091756
[1-[4-(fluoromethyl)phenyl]cyclohexyl]methanamine
CID 117316928
1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene
CID 89447294
1-bromo-4-(1-phenylcyclohexyl)benzene
CID 163634651
[3-(4-bromophenyl)oxan-3-yl]methanamine
CID 83826005

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene?
The IUPAC name of 1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene (CID 84730103) is 1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene.
What is the SMILES notation for 1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene?
The canonical SMILES for 1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene is FCC1(c2ccc(Br)cc2)CCCCC1.
What is the InChIKey of 1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene?
The InChIKey is XHDDZVXSXSUEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h4-7H,1-3,8-10H2.
What are the key properties of 1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene?
1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene has a molecular weight of 271.17 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene is sourced from PubChem (CID 84730103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).