3-but-3-enyl-7-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene

C30H32F2 — CID 139863503

IUPAC3-but-3-enyl-7-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene
SMILESC=CCCc1cc2ccc(CCc3ccc(C4CCC(C=C)CC4)cc3)cc2c(F)c1F
InChIInChI=1S/C30H32F2/c1-3-5-6-27-20-26-18-13-23(19-28(26)30(32)29(27)31)8-7-22-11-16-25(17-12-22)24-14-9-21(4-2)10-15-24/h3-4,11-13,16-21,24H,1-2,5-10,14-15H2
InChIKeyDBKKLTKZWVILGN-UHFFFAOYSA-N
MW430.58 g/mol
LogP8.48
Rot. Bonds8

About 3-but-3-enyl-7-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene

3-but-3-enyl-7-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene (PubChem CID 139863503) has the molecular formula C30H32F2 and a molecular weight of 430.58 g/mol. Its IUPAC name is 3-but-3-enyl-7-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene.

Molecular Properties

Compound Name3-but-3-enyl-7-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene
PubChem CID139863503
Molecular FormulaC30H32F2
Molecular Weight430.58 g/mol
Exact Mass430.25
IUPAC Name3-but-3-enyl-7-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene
SMILESC=CCCc1cc2ccc(CCc3ccc(C4CCC(C=C)CC4)cc3)cc2c(F)c1F
InChIInChI=1S/C30H32F2/c1-3-5-6-27-20-26-18-13-23(19-28(26)30(32)29(27)31)8-7-22-11-16-25(17-12-22)24-14-9-21(4-2)10-15-24/h3-4,11-13,16-21,24H,1-2,5-10,14-15H2
InChIKeyDBKKLTKZWVILGN-UHFFFAOYSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.58
LogP ≤ 58.48
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

3-but-3-enyl-7-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene
CID 139861848
3-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-7-ethyl-1,2-difluoronaphthalene
CID 139862825
3-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-7-ethyl-1,2-difluoronaphthalene
CID 139863740
2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
CID 139862169
1,2-difluoro-7-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-3-pentylnaphthalene
CID 139861566
3-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1,2-difluoro-7-methoxynaphthalene
CID 139861474
2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene
CID 139862071
2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene
CID 139861082
3-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1,2-difluoro-7-propylnaphthalene
CID 139861865
2-[2-(4-but-3-enylphenyl)ethynyl]-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
CID 139876914
7-(4-but-3-enylcyclohexyl)-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene
CID 139863275
6-[4-(4-but-3-enylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene
CID 139847295

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-7-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene?
The IUPAC name of 3-but-3-enyl-7-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene (CID 139863503) is 3-but-3-enyl-7-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene.
What is the SMILES notation for 3-but-3-enyl-7-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene?
The canonical SMILES for 3-but-3-enyl-7-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene is C=CCCc1cc2ccc(CCc3ccc(C4CCC(C=C)CC4)cc3)cc2c(F)c1F.
What is the InChIKey of 3-but-3-enyl-7-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene?
The InChIKey is DBKKLTKZWVILGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2/c1-3-5-6-27-20-26-18-13-23(19-28(26)30(32)29(27)31)8-7-22-11-16-25(17-12-22)24-14-9-21(4-2)10-15-24/h3-4,11-13,16-21,24H,1-2,5-10,14-15H2.
What are the key properties of 3-but-3-enyl-7-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene?
3-but-3-enyl-7-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene has a molecular weight of 430.58 g/mol, XLogP of 8.48, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-7-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene is sourced from PubChem (CID 139863503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).