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

C32H45F — CID 139863231

IUPAC1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene
SMILESC/C=C/CCC1CCC(C2CCC(CCc3ccc4c(F)c(CCC)ccc4c3)CC2)CC1
InChIInChI=1S/C32H45F/c1-3-5-6-8-24-11-16-27(17-12-24)28-18-13-25(14-19-28)9-10-26-15-22-31-30(23-26)21-20-29(7-4-2)32(31)33/h3,5,15,20-25,27-28H,4,6-14,16-19H2,1-2H3/b5-3+
InChIKeyGXLHDRWAHKOMTM-HWKANZROSA-N
MW448.71 g/mol
LogP9.83
Rot. Bonds9

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

1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene (PubChem CID 139863231) has the molecular formula C32H45F and a molecular weight of 448.71 g/mol. Its IUPAC name is 1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene.

Molecular Properties

Compound Name1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene
PubChem CID139863231
Molecular FormulaC32H45F
Molecular Weight448.71 g/mol
Exact Mass448.35
IUPAC Name1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene
SMILESC/C=C/CCC1CCC(C2CCC(CCc3ccc4c(F)c(CCC)ccc4c3)CC2)CC1
InChIInChI=1S/C32H45F/c1-3-5-6-8-24-11-16-27(17-12-24)28-18-13-25(14-19-28)9-10-26-15-22-31-30(23-26)21-20-29(7-4-2)32(31)33/h3,5,15,20-25,27-28H,4,6-14,16-19H2,1-2H3/b5-3+
InChIKeyGXLHDRWAHKOMTM-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'}

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Related Compounds

1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863817
6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139861536
1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861477
2-but-3-enyl-1-fluoro-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139862364
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]naphthalene
CID 139873730
6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863827
1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene
CID 139863615
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene
CID 139861709
2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861118
6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene
CID 139861143
1-fluoro-2-[2-(4-hexylphenyl)ethynyl]-6-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]naphthalene
CID 139876979
2-but-2-enoxy-1-fluoro-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139862289

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene?
The IUPAC name of 1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene (CID 139863231) is 1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene.
What is the SMILES notation for 1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene?
The canonical SMILES for 1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene is C/C=C/CCC1CCC(C2CCC(CCc3ccc4c(F)c(CCC)ccc4c3)CC2)CC1.
What is the InChIKey of 1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene?
The InChIKey is GXLHDRWAHKOMTM-HWKANZROSA-N. The full InChI is InChI=1S/C32H45F/c1-3-5-6-8-24-11-16-27(17-12-24)28-18-13-25(14-19-28)9-10-26-15-22-31-30(23-26)21-20-29(7-4-2)32(31)33/h3,5,15,20-25,27-28H,4,6-14,16-19H2,1-2H3/b5-3+.
What are the key properties of 1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene?
1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene 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-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene is sourced from PubChem (CID 139863231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).