2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene

C30H39F — CID 139862071

IUPAC2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene
SMILESC=CCCc1ccc2cc(C3CCC(CCC4CCC(C=C)CC4)CC3)ccc2c1F
InChIInChI=1S/C30H39F/c1-3-5-6-26-17-18-28-21-27(19-20-29(28)30(26)31)25-15-13-24(14-16-25)12-11-23-9-7-22(4-2)8-10-23/h3-4,17-25H,1-2,5-16H2
InChIKeyNPGIAUNGSWZWTA-UHFFFAOYSA-N
MW418.64 g/mol
LogP9.14
Rot. Bonds8

About 2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene

2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene (PubChem CID 139862071) has the molecular formula C30H39F and a molecular weight of 418.64 g/mol. Its IUPAC name is 2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene.

Molecular Properties

Compound Name2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene
PubChem CID139862071
Molecular FormulaC30H39F
Molecular Weight418.64 g/mol
Exact Mass418.30
IUPAC Name2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene
SMILESC=CCCc1ccc2cc(C3CCC(CCC4CCC(C=C)CC4)CC3)ccc2c1F
InChIInChI=1S/C30H39F/c1-3-5-6-26-17-18-28-21-27(19-20-29(28)30(26)31)25-15-13-24(14-16-25)12-11-23-9-7-22(4-2)8-10-23/h3-4,17-25H,1-2,5-16H2
InChIKeyNPGIAUNGSWZWTA-UHFFFAOYSA-N
XLogP9.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.64
LogP ≤ 59.14
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-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene
CID 139860678
6-[(2R,4aR)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene
CID 20807793
6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139860944
6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene
CID 139862840
6-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene
CID 20807796
6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139860851
1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene
CID 139862905
6-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139876937
2-[2-(4-but-3-enylphenyl)ethynyl]-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
CID 139876914
6-(4-but-3-enylcyclohexyl)-1-fluoro-2-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139874600

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene?
The IUPAC name of 2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene (CID 139862071) is 2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene.
What is the SMILES notation for 2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene?
The canonical SMILES for 2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene is C=CCCc1ccc2cc(C3CCC(CCC4CCC(C=C)CC4)CC3)ccc2c1F.
What is the InChIKey of 2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene?
The InChIKey is NPGIAUNGSWZWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39F/c1-3-5-6-26-17-18-28-21-27(19-20-29(28)30(26)31)25-15-13-24(14-16-25)12-11-23-9-7-22(4-2)8-10-23/h3-4,17-25H,1-2,5-16H2.
What are the key properties of 2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene?
2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene has a molecular weight of 418.64 g/mol, XLogP of 9.14, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene is sourced from PubChem (CID 139862071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).