5-fluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene

C26H39F — CID 139865954

IUPAC5-fluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCC1CCc2c(ccc(C3CCC4CC(C)CCC4C3)c2F)C1
InChIInChI=1S/C26H39F/c1-3-4-5-6-19-8-13-24-22(16-19)12-14-25(26(24)27)23-11-10-20-15-18(2)7-9-21(20)17-23/h12,14,18-21,23H,3-11,13,15-17H2,1-2H3
InChIKeyCNLXYWBUXLRAAY-UHFFFAOYSA-N
MW370.60 g/mol
LogP7.83
Rot. Bonds5

About 5-fluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene

5-fluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 139865954) has the molecular formula C26H39F and a molecular weight of 370.60 g/mol. Its IUPAC name is 5-fluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5-fluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
PubChem CID139865954
Molecular FormulaC26H39F
Molecular Weight370.60 g/mol
Exact Mass370.30
IUPAC Name5-fluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCC1CCc2c(ccc(C3CCC4CC(C)CCC4C3)c2F)C1
InChIInChI=1S/C26H39F/c1-3-4-5-6-19-8-13-24-22(16-19)12-14-25(26(24)27)23-11-10-20-15-18(2)7-9-21(20)17-23/h12,14,18-21,23H,3-11,13,15-17H2,1-2H3
InChIKeyCNLXYWBUXLRAAY-UHFFFAOYSA-N
XLogP7.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.60
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-fluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

5-fluoro-2-hexyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865631
5-fluoro-6-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139865107
5-fluoro-2-hexyl-6-[6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 139865603
5-fluoro-2-hexyl-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139866016
6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-fluoro-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 139865268
5,7-difluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 139865413
8-fluoro-2-heptyl-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139864728
6-(6-but-3-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 139865958
5,7-difluoro-2-pentyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865877
7,8-difluoro-2-hexyl-6-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865164
7,8-difluoro-2-heptyl-6-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865484
7,8-difluoro-2-methyl-6-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865959

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5-fluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene (CID 139865954) is 5-fluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5-fluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5-fluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene is CCCCCC1CCc2c(ccc(C3CCC4CC(C)CCC4C3)c2F)C1.
What is the InChIKey of 5-fluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is CNLXYWBUXLRAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39F/c1-3-4-5-6-19-8-13-24-22(16-19)12-14-25(26(24)27)23-11-10-20-15-18(2)7-9-21(20)17-23/h12,14,18-21,23H,3-11,13,15-17H2,1-2H3.
What are the key properties of 5-fluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene?
5-fluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 370.60 g/mol, XLogP of 7.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139865954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).