6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene

C24H29F — CID 139863366

IUPAC6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene
SMILESC=CCCc1ccc2c(F)c(C3CCC(CCC=C)CC3)ccc2c1
InChIInChI=1S/C24H29F/c1-3-5-7-18-9-12-20(13-10-18)22-16-14-21-17-19(8-6-4-2)11-15-23(21)24(22)25/h3-4,11,14-18,20H,1-2,5-10,12-13H2
InChIKeyOPHLAXBVTSENQB-UHFFFAOYSA-N
MW336.49 g/mol
LogP7.34
Rot. Bonds7

About 6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene

6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene (PubChem CID 139863366) has the molecular formula C24H29F and a molecular weight of 336.49 g/mol. Its IUPAC name is 6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene.

Molecular Properties

Compound Name6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene
PubChem CID139863366
Molecular FormulaC24H29F
Molecular Weight336.49 g/mol
Exact Mass336.23
IUPAC Name6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene
SMILESC=CCCc1ccc2c(F)c(C3CCC(CCC=C)CC3)ccc2c1
InChIInChI=1S/C24H29F/c1-3-5-7-18-9-12-20(13-10-18)22-16-14-21-17-19(8-6-4-2)11-15-23(21)24(22)25/h3-4,11,14-18,20H,1-2,5-10,12-13H2
InChIKeyOPHLAXBVTSENQB-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.49
LogP ≤ 57.34
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-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene
CID 139861022
2-(4-but-3-enylcyclohexyl)-6-ethyl-1-fluoronaphthalene
CID 139861557
2-(4-but-3-enylcyclohexyl)-1-fluoro-6-pentylnaphthalene
CID 139863041
2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene
CID 139862821
2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene
CID 139860510
6-but-3-enyl-1-fluoro-2-[4-[1-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]naphthalene
CID 139864185
6-[2-(4-but-3-enylphenyl)ethynyl]-1-fluoro-2-(4-methylcyclohexyl)naphthalene
CID 139876731
3-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,2-difluoro-7-propylnaphthalene
CID 139863228
3-but-3-enyl-7-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene
CID 139861848
2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene
CID 139848411
6-[2-(4-but-3-enylcyclohexyl)ethyl]-2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-1-fluoronaphthalene
CID 139874142
1-(4-but-3-enylcyclohexyl)-2,3-difluorobenzene
CID 134365637

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene?
The IUPAC name of 6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene (CID 139863366) is 6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene.
What is the SMILES notation for 6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene?
The canonical SMILES for 6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene is C=CCCc1ccc2c(F)c(C3CCC(CCC=C)CC3)ccc2c1.
What is the InChIKey of 6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene?
The InChIKey is OPHLAXBVTSENQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F/c1-3-5-7-18-9-12-20(13-10-18)22-16-14-21-17-19(8-6-4-2)11-15-23(21)24(22)25/h3-4,11,14-18,20H,1-2,5-10,12-13H2.
What are the key properties of 6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene?
6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene has a molecular weight of 336.49 g/mol, XLogP of 7.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene is sourced from PubChem (CID 139863366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).