1,2-difluoro-3-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene

C24H34F2 — CID 134365576

IUPAC1,2-difluoro-3-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene
SMILESCCC=CCCC1CCC(C2CCC(c3cccc(F)c3F)CC2)CC1
InChIInChI=1S/C24H34F2/c1-2-3-4-5-7-18-10-12-19(13-11-18)20-14-16-21(17-15-20)22-8-6-9-23(25)24(22)26/h3-4,6,8-9,18-21H,2,5,7,10-17H2,1H3
InChIKeyHTSKNLNRWBXUFC-UHFFFAOYSA-N
MW360.53 g/mol
LogP7.79
Rot. Bonds6

About 1,2-difluoro-3-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene

1,2-difluoro-3-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene (PubChem CID 134365576) has the molecular formula C24H34F2 and a molecular weight of 360.53 g/mol. Its IUPAC name is 1,2-difluoro-3-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-3-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene
PubChem CID134365576
Molecular FormulaC24H34F2
Molecular Weight360.53 g/mol
Exact Mass360.26
IUPAC Name1,2-difluoro-3-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene
SMILESCCC=CCCC1CCC(C2CCC(c3cccc(F)c3F)CC2)CC1
InChIInChI=1S/C24H34F2/c1-2-3-4-5-7-18-10-12-19(13-11-18)20-14-16-21(17-15-20)22-8-6-9-23(25)24(22)26/h3-4,6,8-9,18-21H,2,5,7,10-17H2,1H3
InChIKeyHTSKNLNRWBXUFC-UHFFFAOYSA-N
XLogP7.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.53
LogP ≤ 57.79
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

1-(4-but-3-enylcyclohexyl)-2,3-difluorobenzene
CID 134365637
2,3-difluoro-1-[4-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene
CID 118316622
2-[4-(2,3-difluorophenyl)cyclohexyl]ethanol
CID 139792996
2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene
CID 54282576
1-but-1-enoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 123220405
5-[4-(2,3-difluorophenyl)cyclohexyl]pentan-1-ol
CID 19706379
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
1-ethoxy-2,3-difluoro-4-[4-[(E)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]cyclohexyl]benzene
CID 118886124
3-[4-(2,3-difluorophenyl)cyclohexyl]cyclobutan-1-one
CID 59346077
1,2,3-trifluoro-5-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]benzene
CID 67589901
2,3-difluoro-1-pent-1-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 123247924
1-[4-[2,3-difluoro-4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]phenyl]phenyl]-2,3-difluoro-4-propylbenzene
CID 77345546

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1,2-difluoro-3-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene (CID 134365576) is 1,2-difluoro-3-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1,2-difluoro-3-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1,2-difluoro-3-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene is CCC=CCCC1CCC(C2CCC(c3cccc(F)c3F)CC2)CC1.
What is the InChIKey of 1,2-difluoro-3-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene?
The InChIKey is HTSKNLNRWBXUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2/c1-2-3-4-5-7-18-10-12-19(13-11-18)20-14-16-21(17-15-20)22-8-6-9-23(25)24(22)26/h3-4,6,8-9,18-21H,2,5,7,10-17H2,1H3.
What are the key properties of 1,2-difluoro-3-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene?
1,2-difluoro-3-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene has a molecular weight of 360.53 g/mol, XLogP of 7.79, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 134365576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).