1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-methylbicyclo[2.2.2]octane

C22H31F — CID 137446074

IUPAC1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-methylbicyclo[2.2.2]octane
SMILESCC1CCC(c2ccc(C34CCC(C)(CC3)CC4)c(F)c2)CC1
InChIInChI=1S/C22H31F/c1-16-3-5-17(6-4-16)18-7-8-19(20(23)15-18)22-12-9-21(2,10-13-22)11-14-22/h7-8,15-17H,3-6,9-14H2,1-2H3
InChIKeyMZAZURLQNLBJFI-UHFFFAOYSA-N
MW314.49 g/mol
LogP6.73
Rot. Bonds2

About 1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-methylbicyclo[2.2.2]octane

1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-methylbicyclo[2.2.2]octane (PubChem CID 137446074) has the molecular formula C22H31F and a molecular weight of 314.49 g/mol. Its IUPAC name is 1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-methylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-methylbicyclo[2.2.2]octane
PubChem CID137446074
Molecular FormulaC22H31F
Molecular Weight314.49 g/mol
Exact Mass314.24
IUPAC Name1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-methylbicyclo[2.2.2]octane
SMILESCC1CCC(c2ccc(C34CCC(C)(CC3)CC4)c(F)c2)CC1
InChIInChI=1S/C22H31F/c1-16-3-5-17(6-4-16)18-7-8-19(20(23)15-18)22-12-9-21(2,10-13-22)11-14-22/h7-8,15-17H,3-6,9-14H2,1-2H3
InChIKeyMZAZURLQNLBJFI-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.49
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-methylbicyclo[2.2.2]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene
CID 20591351
1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 23574055
4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,2,6,6-pentamethylpiperidine
CID 134486646
2-fluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]thiophene
CID 153380811
cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 91598886
9,9-dimethyl-2-(4-methylcyclohexyl)fluorene
CID 157150008
2-fluoro-1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;fluoroform
CID 157103030
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
CID 177038852
1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 158127728
2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylphenyl)phenyl]benzene;methane;molecular hydrogen
CID 161261914
2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen
CID 157087004
2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline
CID 142540997

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-methylbicyclo[2.2.2]octane?
The IUPAC name of 1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-methylbicyclo[2.2.2]octane (CID 137446074) is 1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-methylbicyclo[2.2.2]octane.
What is the SMILES notation for 1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-methylbicyclo[2.2.2]octane?
The canonical SMILES for 1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-methylbicyclo[2.2.2]octane is CC1CCC(c2ccc(C34CCC(C)(CC3)CC4)c(F)c2)CC1.
What is the InChIKey of 1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-methylbicyclo[2.2.2]octane?
The InChIKey is MZAZURLQNLBJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F/c1-16-3-5-17(6-4-16)18-7-8-19(20(23)15-18)22-12-9-21(2,10-13-22)11-14-22/h7-8,15-17H,3-6,9-14H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-methylbicyclo[2.2.2]octane?
1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-methylbicyclo[2.2.2]octane has a molecular weight of 314.49 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-methylbicyclo[2.2.2]octane is sourced from PubChem (CID 137446074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).