1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene

C23H32F2 — CID 54320850

IUPAC1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene
SMILESCCCC1CCC(C2CCC(C=Cc3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C23H32F2/c1-2-3-17-6-11-20(12-7-17)21-13-8-18(9-14-21)4-5-19-10-15-22(24)23(25)16-19/h4-5,10,15-18,20-21H,2-3,6-9,11-14H2,1H3
InChIKeySROAZARGAYVBHI-UHFFFAOYSA-N
MW346.50 g/mol
LogP7.39
Rot. Bonds5

About 1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene

1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene (PubChem CID 54320850) has the molecular formula C23H32F2 and a molecular weight of 346.50 g/mol. Its IUPAC name is 1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene
PubChem CID54320850
Molecular FormulaC23H32F2
Molecular Weight346.50 g/mol
Exact Mass346.25
IUPAC Name1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene
SMILESCCCC1CCC(C2CCC(C=Cc3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C23H32F2/c1-2-3-17-6-11-20(12-7-17)21-13-8-18(9-14-21)4-5-19-10-15-22(24)23(25)16-19/h4-5,10,15-18,20-21H,2-3,6-9,11-14H2,1H3
InChIKeySROAZARGAYVBHI-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.50
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,2-difluoroethenoxy)-5-[difluoro-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-1,3-difluorobenzene
CID 123658176
2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]phenyl]benzene
CID 90179691
4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene
CID 19992698
1,2-difluoro-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]benzene
CID 54158717
1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene
CID 173068049
1,2,3-trifluoro-5-[(E)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-en-1-ynyl]benzene
CID 18657050
4-[(E)-2-[4-[4-[(E)-dec-1-enyl]cyclohexyl]cyclohexyl]ethenyl]-1-[4-(ethoxymethyl)cyclohexyl]-2-fluorobenzene
CID 20654376
2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen
CID 159397311
1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
CID 139659740
1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 601618
1,2-difluoro-4-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 54184964
1,2-difluoro-4-[(4R,5R)-2,2,3,3,5,6-hexadeuterio-4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 173275885

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene?
The IUPAC name of 1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene (CID 54320850) is 1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene is CCCC1CCC(C2CCC(C=Cc3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of 1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene?
The InChIKey is SROAZARGAYVBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F2/c1-2-3-17-6-11-20(12-7-17)21-13-8-18(9-14-21)4-5-19-10-15-22(24)23(25)16-19/h4-5,10,15-18,20-21H,2-3,6-9,11-14H2,1H3.
What are the key properties of 1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene?
1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene has a molecular weight of 346.50 g/mol, XLogP of 7.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene is sourced from PubChem (CID 54320850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).