6-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene

C25H31F — CID 20807796

IUPAC6-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene
SMILESC=CCCc1ccc2cc([C@@H]3CC[C@@H]4CC(C)CCC4C3)ccc2c1F
InChIInChI=1S/C25H31F/c1-3-4-5-18-8-11-23-16-22(12-13-24(23)25(18)26)21-10-9-19-14-17(2)6-7-20(19)15-21/h3,8,11-13,16-17,19-21H,1,4-7,9-10,14-15H2,2H3/t17?,19-,20?,21-/m1/s1
InChIKeySPYHYKWQLZEGIU-BCKAPOECSA-N
MW350.52 g/mol
LogP7.42
Rot. Bonds4

About 6-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene

6-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene (PubChem CID 20807796) has the molecular formula C25H31F and a molecular weight of 350.52 g/mol. Its IUPAC name is 6-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene.

Molecular Properties

Compound Name6-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene
PubChem CID20807796
Molecular FormulaC25H31F
Molecular Weight350.52 g/mol
Exact Mass350.24
IUPAC Name6-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene
SMILESC=CCCc1ccc2cc([C@@H]3CC[C@@H]4CC(C)CCC4C3)ccc2c1F
InChIInChI=1S/C25H31F/c1-3-4-5-18-8-11-23-16-22(12-13-24(23)25(18)26)21-10-9-19-14-17(2)6-7-20(19)15-21/h3,8,11-13,16-17,19-21H,1,4-7,9-10,14-15H2,2H3/t17?,19-,20?,21-/m1/s1
InChIKeySPYHYKWQLZEGIU-BCKAPOECSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.52
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene 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

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
2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
CID 139862169
2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene
CID 139862071
7-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene
CID 20807549
1,3-difluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-prop-2-enoxynaphthalene
CID 22385199
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
3-but-3-enyl-1,2,8-trifluoro-7-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22383792
6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139863783
6-[(6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1-fluoronaphthalene-2-carbonitrile
CID 20808409
6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene
CID 139860678
2-but-3-enyl-1,7-difluoro-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22383010
methyl 6-[(4aS,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1-fluoronaphthalene-2-carboxylate
CID 20808823

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene?
The IUPAC name of 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) is 6-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene.
What is the SMILES notation for 6-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene?
The canonical SMILES for 6-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene is C=CCCc1ccc2cc([C@@H]3CC[C@@H]4CC(C)CCC4C3)ccc2c1F.
What is the InChIKey of 6-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene?
The InChIKey is SPYHYKWQLZEGIU-BCKAPOECSA-N. The full InChI is InChI=1S/C25H31F/c1-3-4-5-18-8-11-23-16-22(12-13-24(23)25(18)26)21-10-9-19-14-17(2)6-7-20(19)15-21/h3,8,11-13,16-17,19-21H,1,4-7,9-10,14-15H2,2H3/t17?,19-,20?,21-/m1/s1.
What are the key properties of 6-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene?
6-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene has a molecular weight of 350.52 g/mol, XLogP of 7.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene is sourced from PubChem (CID 20807796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).