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

C31H43F — CID 139860944

IUPAC6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
SMILESC/C=C/CCc1ccc2cc(C3CCC(CCC4CCC(CC)CC4)CC3)ccc2c1F
InChIInChI=1S/C31H43F/c1-3-5-6-7-27-18-19-29-22-28(20-21-30(29)31(27)32)26-16-14-25(15-17-26)13-12-24-10-8-23(4-2)9-11-24/h3,5,18-26H,4,6-17H2,1-2H3/b5-3+
InChIKeyGHFLQKWLXNQKCN-HWKANZROSA-N
MW434.68 g/mol
LogP9.76
Rot. Bonds8

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

6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene (PubChem CID 139860944) has the molecular formula C31H43F and a molecular weight of 434.68 g/mol. Its IUPAC name is 6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene.

Molecular Properties

Compound Name6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
PubChem CID139860944
Molecular FormulaC31H43F
Molecular Weight434.68 g/mol
Exact Mass434.33
IUPAC Name6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
SMILESC/C=C/CCc1ccc2cc(C3CCC(CCC4CCC(CC)CC4)CC3)ccc2c1F
InChIInChI=1S/C31H43F/c1-3-5-6-7-27-18-19-29-22-28(20-21-30(29)31(27)32)26-16-14-25(15-17-26)13-12-24-10-8-23(4-2)9-11-24/h3,5,18-26H,4,6-17H2,1-2H3/b5-3+
InChIKeyGHFLQKWLXNQKCN-HWKANZROSA-N
XLogP9.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.68
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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

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Related Compounds

6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139863783
1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene
CID 139862905
6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene
CID 139864046
6-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139876937
1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139872751
1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]-2-pentylnaphthalene
CID 139876757
1-fluoro-6-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-[(E)-pent-3-enyl]naphthalene
CID 22383200
2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene
CID 139862071
6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene
CID 139860678
1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-(trifluoromethyl)naphthalene
CID 139856609
6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139874807
6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139860851

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene?
The IUPAC name of 6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene (CID 139860944) is 6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene.
What is the SMILES notation for 6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene?
The canonical SMILES for 6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene is C/C=C/CCc1ccc2cc(C3CCC(CCC4CCC(CC)CC4)CC3)ccc2c1F.
What is the InChIKey of 6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene?
The InChIKey is GHFLQKWLXNQKCN-HWKANZROSA-N. The full InChI is InChI=1S/C31H43F/c1-3-5-6-7-27-18-19-29-22-28(20-21-30(29)31(27)32)26-16-14-25(15-17-26)13-12-24-10-8-23(4-2)9-11-24/h3,5,18-26H,4,6-17H2,1-2H3/b5-3+.
What are the key properties of 6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene?
6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene has a molecular weight of 434.68 g/mol, XLogP of 9.76, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene is sourced from PubChem (CID 139860944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).