1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene

C32H45F — CID 139863817

IUPAC1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
SMILESC/C=C/CCc1ccc2c(F)c(CCC3CCC(C4CCC(CCC)CC4)CC3)ccc2c1
InChIInChI=1S/C32H45F/c1-3-5-6-8-26-14-22-31-30(23-26)21-20-29(32(31)33)19-13-25-11-17-28(18-12-25)27-15-9-24(7-4-2)10-16-27/h3,5,14,20-25,27-28H,4,6-13,15-19H2,1-2H3/b5-3+
InChIKeyGJEQJQJSDFBUQC-HWKANZROSA-N
MW448.71 g/mol
LogP9.83
Rot. Bonds9

About 1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene

1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene (PubChem CID 139863817) has the molecular formula C32H45F and a molecular weight of 448.71 g/mol. Its IUPAC name is 1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
PubChem CID139863817
Molecular FormulaC32H45F
Molecular Weight448.71 g/mol
Exact Mass448.35
IUPAC Name1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
SMILESC/C=C/CCc1ccc2c(F)c(CCC3CCC(C4CCC(CCC)CC4)CC3)ccc2c1
InChIInChI=1S/C32H45F/c1-3-5-6-8-26-14-22-31-30(23-26)21-20-29(32(31)33)19-13-25-11-17-28(18-12-25)27-15-9-24(7-4-2)10-16-27/h3,5,14,20-25,27-28H,4,6-13,15-19H2,1-2H3/b5-3+
InChIKeyGJEQJQJSDFBUQC-HWKANZROSA-N
XLogP9.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.71
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]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

1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene
CID 139863231
6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139861536
6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863827
2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861118
1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861477
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene
CID 139861709
1-fluoro-2-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
CID 139876962
2-but-3-enyl-1-fluoro-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139862364
1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]naphthalene
CID 139872490
1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene
CID 139862905
2-but-2-enoxy-1-fluoro-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139862289
2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861552

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The IUPAC name of 1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene (CID 139863817) is 1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene.
What is the SMILES notation for 1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The canonical SMILES for 1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene is C/C=C/CCc1ccc2c(F)c(CCC3CCC(C4CCC(CCC)CC4)CC3)ccc2c1.
What is the InChIKey of 1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The InChIKey is GJEQJQJSDFBUQC-HWKANZROSA-N. The full InChI is InChI=1S/C32H45F/c1-3-5-6-8-26-14-22-31-30(23-26)21-20-29(32(31)33)19-13-25-11-17-28(18-12-25)27-15-9-24(7-4-2)10-16-27/h3,5,14,20-25,27-28H,4,6-13,15-19H2,1-2H3/b5-3+.
What are the key properties of 1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene has a molecular weight of 448.71 g/mol, XLogP of 9.83, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene is sourced from PubChem (CID 139863817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).