5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene

C27H32F2 — CID 134236125

IUPAC5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene
SMILESC=CC1CCC(C2CCC(c3ccc(-c4cc(F)c(C)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C27H32F2/c1-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-26(28)18(2)27(29)17-25/h3,12-17,19-22H,1,4-11H2,2H3
InChIKeyDRLRKFDVWYFTSH-UHFFFAOYSA-N
MW394.55 g/mol
LogP8.21
Rot. Bonds4

About 5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene

5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene (PubChem CID 134236125) has the molecular formula C27H32F2 and a molecular weight of 394.55 g/mol. Its IUPAC name is 5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene.

Molecular Properties

Compound Name5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene
PubChem CID134236125
Molecular FormulaC27H32F2
Molecular Weight394.55 g/mol
Exact Mass394.25
IUPAC Name5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene
SMILESC=CC1CCC(C2CCC(c3ccc(-c4cc(F)c(C)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C27H32F2/c1-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-26(28)18(2)27(29)17-25/h3,12-17,19-22H,1,4-11H2,2H3
InChIKeyDRLRKFDVWYFTSH-UHFFFAOYSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.55
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene 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

1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene
CID 19380515
2-[4-(3,5-difluoro-4-methylphenyl)phenyl]-6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139870155
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen
CID 161187621
1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 143209910
2-ethenyl-6-[4-(3,4,5-trifluorophenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139870057
4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene
CID 88993446
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 157263040
2-(3,4-difluorophenyl)-5-(4-ethenylcyclohexyl)-1,3-difluorobenzene
CID 15376160
1,3-difluoro-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2-(trifluoromethyl)benzene
CID 70820945
4-[4-(4-cyclopropylcyclohexyl)phenyl]-2-fluoro-6-methylbenzonitrile
CID 163272794
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;ethyl(methyl)phosphane;molecular hydrogen
CID 158183639
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene?
The IUPAC name of 5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene (CID 134236125) is 5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene.
What is the SMILES notation for 5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene?
The canonical SMILES for 5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene is C=CC1CCC(C2CCC(c3ccc(-c4cc(F)c(C)c(F)c4)cc3)CC2)CC1.
What is the InChIKey of 5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene?
The InChIKey is DRLRKFDVWYFTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2/c1-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-26(28)18(2)27(29)17-25/h3,12-17,19-22H,1,4-11H2,2H3.
What are the key properties of 5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene?
5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene has a molecular weight of 394.55 g/mol, XLogP of 8.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene is sourced from PubChem (CID 134236125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).