2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene

C25H31F — CID 139861022

IUPAC2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene
SMILESC=CCCC1CCC(c2ccc3cc(CC/C=C/C)ccc3c2F)CC1
InChIInChI=1S/C25H31F/c1-3-5-7-9-20-12-16-24-22(18-20)15-17-23(25(24)26)21-13-10-19(11-14-21)8-6-4-2/h3-5,12,15-19,21H,2,6-11,13-14H2,1H3/b5-3+
InChIKeyXNJAZEJNTKYBGF-HWKANZROSA-N
MW350.52 g/mol
LogP7.73
Rot. Bonds7

About 2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene

2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene (PubChem CID 139861022) has the molecular formula C25H31F and a molecular weight of 350.52 g/mol. Its IUPAC name is 2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene.

Molecular Properties

Compound Name2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene
PubChem CID139861022
Molecular FormulaC25H31F
Molecular Weight350.52 g/mol
Exact Mass350.24
IUPAC Name2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene
SMILESC=CCCC1CCC(c2ccc3cc(CC/C=C/C)ccc3c2F)CC1
InChIInChI=1S/C25H31F/c1-3-5-7-9-20-12-16-24-22(18-20)15-17-23(25(24)26)21-13-10-19(11-14-21)8-6-4-2/h3-5,12,15-19,21H,2,6-11,13-14H2,1H3/b5-3+
InChIKeyXNJAZEJNTKYBGF-HWKANZROSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.52
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene
CID 139863366
2-(4-but-3-enylcyclohexyl)-6-ethyl-1-fluoronaphthalene
CID 139861557
2-(4-but-3-enylcyclohexyl)-1-fluoro-6-pentylnaphthalene
CID 139863041
1-fluoro-6-[(E)-pent-3-enyl]-2-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene
CID 139860894
2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene
CID 139862821
6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139863783
6-but-3-enyl-1-fluoro-2-[4-[1-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]naphthalene
CID 139864185
6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139861536
7-(4-but-3-enylcyclohexyl)-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene
CID 139863275
6-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139876937
2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene
CID 139860510
1-fluoro-2-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]-6-[2-(4-prop-2-enylcyclohexyl)ethyl]naphthalene
CID 139876196

Frequently Asked Questions

What is the IUPAC name of 2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene?
The IUPAC name of 2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene (CID 139861022) is 2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene.
What is the SMILES notation for 2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene?
The canonical SMILES for 2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene is C=CCCC1CCC(c2ccc3cc(CC/C=C/C)ccc3c2F)CC1.
What is the InChIKey of 2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene?
The InChIKey is XNJAZEJNTKYBGF-HWKANZROSA-N. The full InChI is InChI=1S/C25H31F/c1-3-5-7-9-20-12-16-24-22(18-20)15-17-23(25(24)26)21-13-10-19(11-14-21)8-6-4-2/h3-5,12,15-19,21H,2,6-11,13-14H2,1H3/b5-3+.
What are the key properties of 2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene?
2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene has a molecular weight of 350.52 g/mol, XLogP of 7.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene is sourced from PubChem (CID 139861022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).