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

C31H41F — CID 139861536

IUPAC6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
SMILESC=CC1CCC(C2CCC(CCc3ccc4c(F)c(CC/C=C/C)ccc4c3)CC2)CC1
InChIInChI=1S/C31H41F/c1-3-5-6-7-28-19-20-29-22-25(14-21-30(29)31(28)32)9-8-24-12-17-27(18-13-24)26-15-10-23(4-2)11-16-26/h3-5,14,19-24,26-27H,2,6-13,15-18H2,1H3/b5-3+
InChIKeyBBFUPONPGVJVJV-HWKANZROSA-N
MW432.67 g/mol
LogP9.22
Rot. Bonds8

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

6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene (PubChem CID 139861536) has the molecular formula C31H41F and a molecular weight of 432.67 g/mol. Its IUPAC name is 6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene.

Molecular Properties

Compound Name6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
PubChem CID139861536
Molecular FormulaC31H41F
Molecular Weight432.67 g/mol
Exact Mass432.32
IUPAC Name6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
SMILESC=CC1CCC(C2CCC(CCc3ccc4c(F)c(CC/C=C/C)ccc4c3)CC2)CC1
InChIInChI=1S/C31H41F/c1-3-5-6-7-28-19-20-29-22-25(14-21-30(29)31(28)32)9-8-24-12-17-27(18-13-24)26-15-10-23(4-2)11-16-26/h3-5,14,19-24,26-27H,2,6-13,15-18H2,1H3/b5-3+
InChIKeyBBFUPONPGVJVJV-HWKANZROSA-N
XLogP9.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.67
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene with MolForge

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Related Compounds

1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene
CID 139863231
1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863817
2-but-3-enyl-1-fluoro-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139862364
6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139863783
1-fluoro-2-prop-2-enoxy-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139860513
6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139860851
2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene
CID 139861022
2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-ethoxy-1-fluoronaphthalene
CID 139863649
2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139862828
1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861477
2-but-2-enoxy-1-fluoro-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139862289
2-but-3-enyl-6-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1-fluoronaphthalene
CID 139860885

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene?
The IUPAC name of 6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene (CID 139861536) is 6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene.
What is the SMILES notation for 6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene?
The canonical SMILES for 6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene is C=CC1CCC(C2CCC(CCc3ccc4c(F)c(CC/C=C/C)ccc4c3)CC2)CC1.
What is the InChIKey of 6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene?
The InChIKey is BBFUPONPGVJVJV-HWKANZROSA-N. The full InChI is InChI=1S/C31H41F/c1-3-5-6-7-28-19-20-29-22-25(14-21-30(29)31(28)32)9-8-24-12-17-27(18-13-24)26-15-10-23(4-2)11-16-26/h3-5,14,19-24,26-27H,2,6-13,15-18H2,1H3/b5-3+.
What are the key properties of 6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene?
6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene has a molecular weight of 432.67 g/mol, XLogP of 9.22, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene is sourced from PubChem (CID 139861536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).