1,7-difluoro-6-[(E)-pent-3-enyl]-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene

C30H40F2 — CID 22385078

IUPAC1,7-difluoro-6-[(E)-pent-3-enyl]-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
SMILESC/C=C/CCc1cc2ccc(C3CCC4CC(CCCCC)CCC4C3)c(F)c2cc1F
InChIInChI=1S/C30H40F2/c1-3-5-7-9-21-11-12-23-18-24(14-13-22(23)17-21)27-16-15-25-19-26(10-8-6-4-2)29(31)20-28(25)30(27)32/h4,6,15-16,19-24H,3,5,7-14,17-18H2,1-2H3/b6-4+
InChIKeyCHVSKBCMNOAFEH-GQCTYLIASA-N
MW438.65 g/mol
LogP9.51
Rot. Bonds8

About 1,7-difluoro-6-[(E)-pent-3-enyl]-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene

1,7-difluoro-6-[(E)-pent-3-enyl]-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene (PubChem CID 22385078) has the molecular formula C30H40F2 and a molecular weight of 438.65 g/mol. Its IUPAC name is 1,7-difluoro-6-[(E)-pent-3-enyl]-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene.

Molecular Properties

Compound Name1,7-difluoro-6-[(E)-pent-3-enyl]-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
PubChem CID22385078
Molecular FormulaC30H40F2
Molecular Weight438.65 g/mol
Exact Mass438.31
IUPAC Name1,7-difluoro-6-[(E)-pent-3-enyl]-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
SMILESC/C=C/CCc1cc2ccc(C3CCC4CC(CCCCC)CCC4C3)c(F)c2cc1F
InChIInChI=1S/C30H40F2/c1-3-5-7-9-21-11-12-23-18-24(14-13-22(23)17-21)27-16-15-25-19-26(10-8-6-4-2)29(31)20-28(25)30(27)32/h4,6,15-16,19-24H,3,5,7-14,17-18H2,1-2H3/b6-4+
InChIKeyCHVSKBCMNOAFEH-GQCTYLIASA-N
XLogP9.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.65
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,7-difluoro-6-[(E)-pent-3-enyl]-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R,4aR)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,7-difluoro-6-[(E)-pent-3-enyl]naphthalene
CID 20807716
6-but-2-enoxy-1,7-difluoro-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 70228375
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
1,7-difluoro-2-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxynaphthalene
CID 22383101
1-fluoro-3-pent-3-enyl-7-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 70229042
2-[(2R,4aR)-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,7-difluoro-6-prop-2-enoxynaphthalene
CID 20807690
methyl 6-[(4aS,8aR)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3,5-difluoronaphthalene-2-carboxylate
CID 20808787
methyl 3,5-difluoro-6-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene-2-carboxylate
CID 22383391
1,2,8-trifluoro-7-[(E)-pent-3-enyl]-3-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22383605
6-[(2R,4aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,8-difluoro-2-[(E)-pent-3-enyl]naphthalene
CID 20807754
2-[(2R,4aR)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,8-difluoro-6-[(E)-pent-3-enyl]naphthalene
CID 20807780
1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene
CID 139862905

Frequently Asked Questions

What is the IUPAC name of 1,7-difluoro-6-[(E)-pent-3-enyl]-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene?
The IUPAC name of 1,7-difluoro-6-[(E)-pent-3-enyl]-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene (CID 22385078) is 1,7-difluoro-6-[(E)-pent-3-enyl]-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene.
What is the SMILES notation for 1,7-difluoro-6-[(E)-pent-3-enyl]-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene?
The canonical SMILES for 1,7-difluoro-6-[(E)-pent-3-enyl]-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene is C/C=C/CCc1cc2ccc(C3CCC4CC(CCCCC)CCC4C3)c(F)c2cc1F.
What is the InChIKey of 1,7-difluoro-6-[(E)-pent-3-enyl]-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene?
The InChIKey is CHVSKBCMNOAFEH-GQCTYLIASA-N. The full InChI is InChI=1S/C30H40F2/c1-3-5-7-9-21-11-12-23-18-24(14-13-22(23)17-21)27-16-15-25-19-26(10-8-6-4-2)29(31)20-28(25)30(27)32/h4,6,15-16,19-24H,3,5,7-14,17-18H2,1-2H3/b6-4+.
What are the key properties of 1,7-difluoro-6-[(E)-pent-3-enyl]-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene?
1,7-difluoro-6-[(E)-pent-3-enyl]-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene has a molecular weight of 438.65 g/mol, XLogP of 9.51, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-difluoro-6-[(E)-pent-3-enyl]-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene is sourced from PubChem (CID 22385078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).