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

C31H41F — CID 139864185

IUPAC6-but-3-enyl-1-fluoro-2-[4-[1-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]naphthalene
SMILESC=CCCc1ccc2c(F)c(C3CCC(C(C)C4CCC(/C=C/C)CC4)CC3)ccc2c1
InChIInChI=1S/C31H41F/c1-4-6-8-24-11-19-30-28(21-24)18-20-29(31(30)32)27-16-14-26(15-17-27)22(3)25-12-9-23(7-5-2)10-13-25/h4-5,7,11,18-23,25-27H,1,6,8-10,12-17H2,2-3H3/b7-5+
InChIKeyYLTTVGJQECPNBL-FNORWQNLSA-N
MW432.67 g/mol
LogP9.39
Rot. Bonds7

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

6-but-3-enyl-1-fluoro-2-[4-[1-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]naphthalene (PubChem CID 139864185) has the molecular formula C31H41F and a molecular weight of 432.67 g/mol. Its IUPAC name is 6-but-3-enyl-1-fluoro-2-[4-[1-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]naphthalene.

Molecular Properties

Compound Name6-but-3-enyl-1-fluoro-2-[4-[1-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]naphthalene
PubChem CID139864185
Molecular FormulaC31H41F
Molecular Weight432.67 g/mol
Exact Mass432.32
IUPAC Name6-but-3-enyl-1-fluoro-2-[4-[1-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]naphthalene
SMILESC=CCCc1ccc2c(F)c(C3CCC(C(C)C4CCC(/C=C/C)CC4)CC3)ccc2c1
InChIInChI=1S/C31H41F/c1-4-6-8-24-11-19-30-28(21-24)18-20-29(31(30)32)27-16-14-26(15-17-27)22(3)25-12-9-23(7-5-2)10-13-25/h4-5,7,11,18-23,25-27H,1,6,8-10,12-17H2,2-3H3/b7-5+
InChIKeyYLTTVGJQECPNBL-FNORWQNLSA-N
XLogP9.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.67
LogP ≤ 59.39
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

6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene
CID 139863366
1-fluoro-6-[(E)-pent-3-enyl]-2-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene
CID 139860894
2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene
CID 139861022
2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene
CID 139862821
6-[2-(4-but-3-enylphenyl)ethynyl]-1-fluoro-2-(4-methylcyclohexyl)naphthalene
CID 139876731
2-(4-but-3-enylcyclohexyl)-1-fluoro-6-pentylnaphthalene
CID 139863041
2-(4-but-3-enylcyclohexyl)-6-ethyl-1-fluoronaphthalene
CID 139861557
2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene
CID 139848411
1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 161061804
2-but-3-enyl-1-(difluoromethoxy)-6-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene
CID 139863118
1-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
CID 139863811
1-fluoro-2-prop-2-enoxy-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139860513

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enyl-1-fluoro-2-[4-[1-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]naphthalene?
The IUPAC name of 6-but-3-enyl-1-fluoro-2-[4-[1-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]naphthalene (CID 139864185) is 6-but-3-enyl-1-fluoro-2-[4-[1-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]naphthalene.
What is the SMILES notation for 6-but-3-enyl-1-fluoro-2-[4-[1-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]naphthalene?
The canonical SMILES for 6-but-3-enyl-1-fluoro-2-[4-[1-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]naphthalene is C=CCCc1ccc2c(F)c(C3CCC(C(C)C4CCC(/C=C/C)CC4)CC3)ccc2c1.
What is the InChIKey of 6-but-3-enyl-1-fluoro-2-[4-[1-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]naphthalene?
The InChIKey is YLTTVGJQECPNBL-FNORWQNLSA-N. The full InChI is InChI=1S/C31H41F/c1-4-6-8-24-11-19-30-28(21-24)18-20-29(31(30)32)27-16-14-26(15-17-27)22(3)25-12-9-23(7-5-2)10-13-25/h4-5,7,11,18-23,25-27H,1,6,8-10,12-17H2,2-3H3/b7-5+.
What are the key properties of 6-but-3-enyl-1-fluoro-2-[4-[1-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]naphthalene?
6-but-3-enyl-1-fluoro-2-[4-[1-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]naphthalene has a molecular weight of 432.67 g/mol, XLogP of 9.39, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enyl-1-fluoro-2-[4-[1-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]naphthalene is sourced from PubChem (CID 139864185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).