6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene

C29H31F — CID 139860851

IUPAC6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
SMILESC=CC1CCC(c2ccc(-c3ccc4c(F)c(CC/C=C/C)ccc4c3)cc2)CC1
InChIInChI=1S/C29H31F/c1-3-5-6-7-25-16-17-27-20-26(18-19-28(27)29(25)30)24-14-12-23(13-15-24)22-10-8-21(4-2)9-11-22/h3-5,12-22H,2,6-11H2,1H3/b5-3+
InChIKeyNFHZRJLUEQEUKP-HWKANZROSA-N
MW398.57 g/mol
LogP8.61
Rot. Bonds6

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

6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene (PubChem CID 139860851) has the molecular formula C29H31F and a molecular weight of 398.57 g/mol. Its IUPAC name is 6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene.

Molecular Properties

Compound Name6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
PubChem CID139860851
Molecular FormulaC29H31F
Molecular Weight398.57 g/mol
Exact Mass398.24
IUPAC Name6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
SMILESC=CC1CCC(c2ccc(-c3ccc4c(F)c(CC/C=C/C)ccc4c3)cc2)CC1
InChIInChI=1S/C29H31F/c1-3-5-6-7-25-16-17-27-20-26(18-19-28(27)29(25)30)24-14-12-23(13-15-24)22-10-8-21(4-2)9-11-22/h3-5,12-22H,2,6-11H2,1H3/b5-3+
InChIKeyNFHZRJLUEQEUKP-HWKANZROSA-N
XLogP8.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.57
LogP ≤ 58.61
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-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
CID 139862169
6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139863783
6-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139876937
2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene
CID 139862071
6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139860944
6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139861536
1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene
CID 139862905
6-[2-[4-(4-ethenylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene
CID 139876307
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-[(E)-pent-3-enyl]benzene
CID 139749267
2-(2,2-difluoroethenyl)-6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoronaphthalene
CID 139856505
3-[4-(4-ethenylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139863852
7-(4-but-3-enylcyclohexyl)-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene
CID 139863275

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene?
The IUPAC name of 6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene (CID 139860851) is 6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene.
What is the SMILES notation for 6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene?
The canonical SMILES for 6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene is C=CC1CCC(c2ccc(-c3ccc4c(F)c(CC/C=C/C)ccc4c3)cc2)CC1.
What is the InChIKey of 6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene?
The InChIKey is NFHZRJLUEQEUKP-HWKANZROSA-N. The full InChI is InChI=1S/C29H31F/c1-3-5-6-7-25-16-17-27-20-26(18-19-28(27)29(25)30)24-14-12-23(13-15-24)22-10-8-21(4-2)9-11-22/h3-5,12-22H,2,6-11H2,1H3/b5-3+.
What are the key properties of 6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene?
6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene has a molecular weight of 398.57 g/mol, XLogP of 8.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene is sourced from PubChem (CID 139860851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).