1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzene

C25H36F2 — CID 57097862

IUPAC1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzene
SMILESCCCC1CCC(C2CCC(CC=CCc3cc(F)cc(F)c3)CC2)CC1
InChIInChI=1S/C25H36F2/c1-2-5-19-8-12-22(13-9-19)23-14-10-20(11-15-23)6-3-4-7-21-16-24(26)18-25(27)17-21/h3-4,16-20,22-23H,2,5-15H2,1H3
InChIKeyUSDZLUNCXGKTER-UHFFFAOYSA-N
MW374.56 g/mol
LogP7.87
Rot. Bonds7

About 1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzene

1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzene (PubChem CID 57097862) has the molecular formula C25H36F2 and a molecular weight of 374.56 g/mol. Its IUPAC name is 1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzene
PubChem CID57097862
Molecular FormulaC25H36F2
Molecular Weight374.56 g/mol
Exact Mass374.28
IUPAC Name1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzene
SMILESCCCC1CCC(C2CCC(CC=CCc3cc(F)cc(F)c3)CC2)CC1
InChIInChI=1S/C25H36F2/c1-2-5-19-8-12-22(13-9-19)23-14-10-20(11-15-23)6-3-4-7-21-16-24(26)18-25(27)17-21/h3-4,16-20,22-23H,2,5-15H2,1H3
InChIKeyUSDZLUNCXGKTER-UHFFFAOYSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.56
LogP ≤ 57.87
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

1,2,3-trifluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-2-enyl]benzene
CID 54497381
4-[(Z)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzonitrile
CID 67680855
1,2-difluoro-4-[(Z)-4-[4-(4-pentylcyclohexyl)cyclohexyl]but-2-enyl]benzene
CID 67680833
1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-fluorobenzene
CID 54259474
1-[(Z)-4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-(trifluoromethyl)benzene
CID 67680891
1-pentyl-4-[(Z)-4-(4-pentylcyclohexyl)but-2-enyl]benzene
CID 173321823
1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 18724324
1,2,3-trifluoro-5-[4-(4-hex-2-enylcyclohexyl)cyclohexyl]benzene
CID 54188231
1,2,3-trifluoro-5-[4-[4-[(E)-hex-2-enyl]cyclohexyl]cyclohexyl]benzene
CID 67589936
1,2,3-trifluoro-5-[2-[4-(3-propylcyclopentyl)cyclohexyl]ethyl]benzene
CID 58555509
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzene?
The IUPAC name of 1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzene (CID 57097862) is 1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzene.
What is the SMILES notation for 1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzene?
The canonical SMILES for 1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzene is CCCC1CCC(C2CCC(CC=CCc3cc(F)cc(F)c3)CC2)CC1.
What is the InChIKey of 1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzene?
The InChIKey is USDZLUNCXGKTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36F2/c1-2-5-19-8-12-22(13-9-19)23-14-10-20(11-15-23)6-3-4-7-21-16-24(26)18-25(27)17-21/h3-4,16-20,22-23H,2,5-15H2,1H3.
What are the key properties of 1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzene?
1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzene has a molecular weight of 374.56 g/mol, XLogP of 7.87, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzene is sourced from PubChem (CID 57097862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).