1-[4-(4-ethyl-4-methylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enylbenzene

C24H34F2 — CID 126759201

IUPAC1-[4-(4-ethyl-4-methylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enylbenzene
SMILESC=CCc1ccc(C2CCC(C3CCC(C)(CC)CC3)CC2)c(F)c1F
InChIInChI=1S/C24H34F2/c1-4-6-20-11-12-21(23(26)22(20)25)19-9-7-17(8-10-19)18-13-15-24(3,5-2)16-14-18/h4,11-12,17-19H,1,5-10,13-16H2,2-3H3
InChIKeyLTCCXJMWCGDULR-UHFFFAOYSA-N
MW360.53 g/mol
LogP7.57
Rot. Bonds5

About 1-[4-(4-ethyl-4-methylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enylbenzene

1-[4-(4-ethyl-4-methylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enylbenzene (PubChem CID 126759201) has the molecular formula C24H34F2 and a molecular weight of 360.53 g/mol. Its IUPAC name is 1-[4-(4-ethyl-4-methylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-[4-(4-ethyl-4-methylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enylbenzene
PubChem CID126759201
Molecular FormulaC24H34F2
Molecular Weight360.53 g/mol
Exact Mass360.26
IUPAC Name1-[4-(4-ethyl-4-methylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enylbenzene
SMILESC=CCc1ccc(C2CCC(C3CCC(C)(CC)CC3)CC2)c(F)c1F
InChIInChI=1S/C24H34F2/c1-4-6-20-11-12-21(23(26)22(20)25)19-9-7-17(8-10-19)18-13-15-24(3,5-2)16-14-18/h4,11-12,17-19H,1,5-10,13-16H2,2-3H3
InChIKeyLTCCXJMWCGDULR-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.53
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylbenzene;molecular hydrogen
CID 159485452
1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 126759194
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorobenzene
CID 67738437
2-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohexyl]-6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139869023
1-ethoxy-4-[(4S)-4-(4-ethyl-4-methylcyclohexyl)-3,3-difluorocyclohexyl]-2,3-difluorobenzene
CID 129013900
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-(2,3-difluoro-4-heptylphenyl)-2,3-difluorobenzene
CID 20621628
2-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohexyl]-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866782
1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene
CID 158288889
2-ethenyl-5-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]oxane
CID 58021340
2,3-difluoro-1-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-4-prop-2-enylbenzene
CID 67730556
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-[4-(2,3-difluoro-4-pentylphenyl)phenyl]-2,3-difluorobenzene
CID 67738474
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethyl-4-methylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enylbenzene?
The IUPAC name of 1-[4-(4-ethyl-4-methylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enylbenzene (CID 126759201) is 1-[4-(4-ethyl-4-methylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enylbenzene.
What is the SMILES notation for 1-[4-(4-ethyl-4-methylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enylbenzene?
The canonical SMILES for 1-[4-(4-ethyl-4-methylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enylbenzene is C=CCc1ccc(C2CCC(C3CCC(C)(CC)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-[4-(4-ethyl-4-methylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enylbenzene?
The InChIKey is LTCCXJMWCGDULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2/c1-4-6-20-11-12-21(23(26)22(20)25)19-9-7-17(8-10-19)18-13-15-24(3,5-2)16-14-18/h4,11-12,17-19H,1,5-10,13-16H2,2-3H3.
What are the key properties of 1-[4-(4-ethyl-4-methylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enylbenzene?
1-[4-(4-ethyl-4-methylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enylbenzene has a molecular weight of 360.53 g/mol, XLogP of 7.57, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethyl-4-methylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enylbenzene is sourced from PubChem (CID 126759201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).