1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene

C20H29F — CID 23574055

IUPAC1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
SMILESCc1cc(C2CCC(C3CCC(C)CC3)CC2)ccc1F
InChIInChI=1S/C20H29F/c1-14-3-5-16(6-4-14)17-7-9-18(10-8-17)19-11-12-20(21)15(2)13-19/h11-14,16-18H,3-10H2,1-2H3
InChIKeyKHUILSOVSXYLRS-UHFFFAOYSA-N
MW288.45 g/mol
LogP6.23
Rot. Bonds2

About 1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene

1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene (PubChem CID 23574055) has the molecular formula C20H29F and a molecular weight of 288.45 g/mol. Its IUPAC name is 1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
PubChem CID23574055
Molecular FormulaC20H29F
Molecular Weight288.45 g/mol
Exact Mass288.23
IUPAC Name1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
SMILESCc1cc(C2CCC(C3CCC(C)CC3)CC2)ccc1F
InChIInChI=1S/C20H29F/c1-14-3-5-16(6-4-14)17-7-9-18(10-8-17)19-11-12-20(21)15(2)13-19/h11-14,16-18H,3-10H2,1-2H3
InChIKeyKHUILSOVSXYLRS-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.45
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 91598886
2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 134509872
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833
1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 143209910
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 157263040
1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144841355
1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene)
CID 161434306
1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen
CID 160545349
2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol
CID 71101076
2-fluoro-1-isothiocyanato-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 142237279
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene (CID 23574055) is 1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene is Cc1cc(C2CCC(C3CCC(C)CC3)CC2)ccc1F.
What is the InChIKey of 1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene?
The InChIKey is KHUILSOVSXYLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F/c1-14-3-5-16(6-4-14)17-7-9-18(10-8-17)19-11-12-20(21)15(2)13-19/h11-14,16-18H,3-10H2,1-2H3.
What are the key properties of 1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene?
1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene has a molecular weight of 288.45 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 23574055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).