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

C27H35F — CID 143209910

IUPAC1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
SMILESCc1cc(-c2ccc(C3CCC(C4CCC(C)CC4)CC3)cc2)cc(F)c1C
InChIInChI=1S/C27H35F/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)20(3)27(28)17-26/h12-18,21-23H,4-11H2,1-3H3
InChIKeyROQPZPCJNRUCIV-UHFFFAOYSA-N
MW378.58 g/mol
LogP8.21
Rot. Bonds3

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

1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene (PubChem CID 143209910) has the molecular formula C27H35F and a molecular weight of 378.58 g/mol. Its IUPAC name is 1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
PubChem CID143209910
Molecular FormulaC27H35F
Molecular Weight378.58 g/mol
Exact Mass378.27
IUPAC Name1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
SMILESCc1cc(-c2ccc(C3CCC(C4CCC(C)CC4)CC3)cc2)cc(F)c1C
InChIInChI=1S/C27H35F/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)20(3)27(28)17-26/h12-18,21-23H,4-11H2,1-3H3
InChIKeyROQPZPCJNRUCIV-UHFFFAOYSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.58
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 157263040
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
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-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;ethane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;[2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phosphane
CID 143239765
5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene
CID 134236125
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
4-[4-(4-cyclopropylcyclohexyl)phenyl]-2-fluoro-6-methylbenzonitrile
CID 163272794
1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 23574055
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;bis(1-methyl-4-(4-methylcyclohexyl)benzene);bis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);bis(1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);1-methyl-4-(4-methylphenyl)benzene;molecular hydrogen
CID 160558851
2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline
CID 143115116
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene?
The IUPAC name of 1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene (CID 143209910) is 1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene?
The canonical SMILES for 1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene is Cc1cc(-c2ccc(C3CCC(C4CCC(C)CC4)CC3)cc2)cc(F)c1C.
What is the InChIKey of 1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene?
The InChIKey is ROQPZPCJNRUCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F/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)20(3)27(28)17-26/h12-18,21-23H,4-11H2,1-3H3.
What are the key properties of 1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene?
1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene has a molecular weight of 378.58 g/mol, XLogP of 8.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene is sourced from PubChem (CID 143209910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).