2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene

C27H41F — CID 134509872

IUPAC2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
SMILESCc1cc(C2CCC(C3CCC(C4CCC(C)CC4)CC3)CC2)cc(C)c1F
InChIInChI=1S/C27H41F/c1-18-4-6-21(7-5-18)22-8-10-23(11-9-22)24-12-14-25(15-13-24)26-16-19(2)27(28)20(3)17-26/h16-18,21-25H,4-15H2,1-3H3
InChIKeyNVDXMIZGCOBGQQ-UHFFFAOYSA-N
MW384.62 g/mol
LogP8.35
Rot. Bonds3

About 2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene

2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene (PubChem CID 134509872) has the molecular formula C27H41F and a molecular weight of 384.62 g/mol. Its IUPAC name is 2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene.

Molecular Properties

Compound Name2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
PubChem CID134509872
Molecular FormulaC27H41F
Molecular Weight384.62 g/mol
Exact Mass384.32
IUPAC Name2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
SMILESCc1cc(C2CCC(C3CCC(C4CCC(C)CC4)CC3)CC2)cc(C)c1F
InChIInChI=1S/C27H41F/c1-18-4-6-21(7-5-18)22-8-10-23(11-9-22)24-12-14-25(15-13-24)26-16-19(2)27(28)20(3)17-26/h16-18,21-25H,4-15H2,1-3H3
InChIKeyNVDXMIZGCOBGQQ-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.62
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 23574055
2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol
CID 71101076
3-chloro-2-fluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 158163043
1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 71202451
1,3-difluoro-5-(4-methylcyclohexyl)benzene
CID 18720773
cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 91598886
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 157263040
2-chloro-3-fluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 158163044
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 143209910
2,6-dimethyl-4-(4-methylcyclohexyl)benzonitrile
CID 22942556
3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 71046263

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene?
The IUPAC name of 2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene (CID 134509872) is 2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene.
What is the SMILES notation for 2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene?
The canonical SMILES for 2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene is Cc1cc(C2CCC(C3CCC(C4CCC(C)CC4)CC3)CC2)cc(C)c1F.
What is the InChIKey of 2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene?
The InChIKey is NVDXMIZGCOBGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41F/c1-18-4-6-21(7-5-18)22-8-10-23(11-9-22)24-12-14-25(15-13-24)26-16-19(2)27(28)20(3)17-26/h16-18,21-25H,4-15H2,1-3H3.
What are the key properties of 2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene?
2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene has a molecular weight of 384.62 g/mol, XLogP of 8.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene is sourced from PubChem (CID 134509872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).