2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene

C22H26F2 — CID 20683285

IUPAC2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(CCC3CCC(C)CC3)c(F)c2F)cc1
InChIInChI=1S/C22H26F2/c1-15-3-7-17(8-4-15)9-12-19-13-14-20(22(24)21(19)23)18-10-5-16(2)6-11-18/h5-6,10-11,13-15,17H,3-4,7-9,12H2,1-2H3
InChIKeyMNIMWEYVIQBIIU-UHFFFAOYSA-N
MW328.45 g/mol
LogP6.70
Rot. Bonds4

About 2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene

2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene (PubChem CID 20683285) has the molecular formula C22H26F2 and a molecular weight of 328.45 g/mol. Its IUPAC name is 2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene.

Molecular Properties

Compound Name2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene
PubChem CID20683285
Molecular FormulaC22H26F2
Molecular Weight328.45 g/mol
Exact Mass328.20
IUPAC Name2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(CCC3CCC(C)CC3)c(F)c2F)cc1
InChIInChI=1S/C22H26F2/c1-15-3-7-17(8-4-15)9-12-19-13-14-20(22(24)21(19)23)18-10-5-16(2)6-11-18/h5-6,10-11,13-15,17H,3-4,7-9,12H2,1-2H3
InChIKeyMNIMWEYVIQBIIU-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.45
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 67895695
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 159331661
3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine
CID 139778526
2,3-difluoro-1-[2-(4-heptylcyclohexyl)ethyl]-4-(4-heptylphenyl)benzene
CID 67895821
3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-ethylpyridazine
CID 139778955
1-butyl-4-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluorobenzene
CID 70820686
1-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90164821
2,3-difluoro-1-(5-methoxypentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
CID 90049299
1-[4-[4-[2-(4-but-3-enylcyclohexyl)ethyl]phenyl]phenyl]-2,3-difluoro-4-pentylbenzene
CID 154607339
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730642
1-butyl-4-[4-[2,3-difluoro-4-(4-heptylcyclohexyl)phenyl]phenyl]-2,3-difluorobenzene
CID 67730689
N-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine
CID 147338785

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene?
The IUPAC name of 2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene (CID 20683285) is 2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene.
What is the SMILES notation for 2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene?
The canonical SMILES for 2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene is Cc1ccc(-c2ccc(CCC3CCC(C)CC3)c(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene?
The InChIKey is MNIMWEYVIQBIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2/c1-15-3-7-17(8-4-15)9-12-19-13-14-20(22(24)21(19)23)18-10-5-16(2)6-11-18/h5-6,10-11,13-15,17H,3-4,7-9,12H2,1-2H3.
What are the key properties of 2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene?
2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene has a molecular weight of 328.45 g/mol, XLogP of 6.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene is sourced from PubChem (CID 20683285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).