1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen

C13H19F — CID 158127728

IUPAC1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
SMILESCC1CCC(c2ccc(F)cc2)CC1.[H][H]
InChIInChI=1S/C13H17F.H2/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;/h6-11H,2-5H2,1H3;1H
InChIKeyFSJUPZPAVQCGER-UHFFFAOYSA-N
MW194.29 g/mol
LogP4.37
Rot. Bonds1

About 1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen

1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen (PubChem CID 158127728) has the molecular formula C13H19F and a molecular weight of 194.29 g/mol. Its IUPAC name is 1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen.

Molecular Properties

Compound Name1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
PubChem CID158127728
Molecular FormulaC13H19F
Molecular Weight194.29 g/mol
Exact Mass194.15
IUPAC Name1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
SMILESCC1CCC(c2ccc(F)cc2)CC1.[H][H]
InChIInChI=1S/C13H17F.H2/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;/h6-11H,2-5H2,1H3;1H
InChIKeyFSJUPZPAVQCGER-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen
CID 160545349
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
1-fluoro-4-(4-fluorocyclohexyl)benzene
CID 23539867
ethane;4-(4-fluorophenyl)cyclohexan-1-one;molecular hydrogen
CID 142101023
1,3-difluoro-5-(4-methylcyclohexyl)benzene
CID 18720773
1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228
2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 158317433
ethane;4-(4-fluorophenyl)piperidine
CID 144692128
1-(4-methylcyclohexyl)-4-phenylbenzene
CID 18720904
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
2-fluoro-5-[4-(4-methylcyclohexyl)phenyl]thiophene
CID 153380823
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen?
The IUPAC name of 1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen (CID 158127728) is 1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen.
What is the SMILES notation for 1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen?
The canonical SMILES for 1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen is CC1CCC(c2ccc(F)cc2)CC1.[H][H].
What is the InChIKey of 1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen?
The InChIKey is FSJUPZPAVQCGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F.H2/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;/h6-11H,2-5H2,1H3;1H.
What are the key properties of 1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen?
1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen has a molecular weight of 194.29 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen is sourced from PubChem (CID 158127728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).