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

C22H24FN — CID 20808409

IUPAC6-[(6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1-fluoronaphthalene-2-carbonitrile
SMILESC[C@@H]1CC[C@@H]2CC(c3ccc4c(F)c(C#N)ccc4c3)CCC2C1
InChIInChI=1S/C22H24FN/c1-14-2-3-16-11-17(5-4-15(16)10-14)18-8-9-21-19(12-18)6-7-20(13-24)22(21)23/h6-9,12,14-17H,2-5,10-11H2,1H3/t14-,15?,16-,17?/m1/s1
InChIKeyGNBRCTSNMXQQOA-KZYLPZIUSA-N
MW321.44 g/mol
LogP6.17
Rot. Bonds1

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

6-[(6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1-fluoronaphthalene-2-carbonitrile (PubChem CID 20808409) has the molecular formula C22H24FN and a molecular weight of 321.44 g/mol. Its IUPAC name is 6-[(6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1-fluoronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-[(6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1-fluoronaphthalene-2-carbonitrile
PubChem CID20808409
Molecular FormulaC22H24FN
Molecular Weight321.44 g/mol
Exact Mass321.19
IUPAC Name6-[(6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1-fluoronaphthalene-2-carbonitrile
SMILESC[C@@H]1CC[C@@H]2CC(c3ccc4c(F)c(C#N)ccc4c3)CCC2C1
InChIInChI=1S/C22H24FN/c1-14-2-3-16-11-17(5-4-15(16)10-14)18-8-9-21-19(12-18)6-7-20(13-24)22(21)23/h6-9,12,14-17H,2-5,10-11H2,1H3/t14-,15?,16-,17?/m1/s1
InChIKeyGNBRCTSNMXQQOA-KZYLPZIUSA-N
XLogP6.17
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.44
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Related Compounds

6-[(6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]naphthalene-2-carbonitrile
CID 20808423
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
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
7-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoro-3-methoxynaphthalene
CID 20807536
1,2,3-trifluoro-6-[6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]naphthalene
CID 139867617
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
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
(2R,4aR,8aR)-2-[3-fluoro-4-[2-(4-methylphenyl)ethynyl]phenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809824
6-[(6R,8aR)-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,3-difluoronaphthalene-2-carbonitrile
CID 20808401
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383566
6-[(6R,8aR)-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoronaphthalene
CID 20808175
4-[(2R,4aR,6R,8aR)-6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-fluorobenzonitrile
CID 20809567

Frequently Asked Questions

What is the IUPAC name of 6-[(6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1-fluoronaphthalene-2-carbonitrile?
The IUPAC name of 6-[(6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1-fluoronaphthalene-2-carbonitrile (CID 20808409) is 6-[(6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1-fluoronaphthalene-2-carbonitrile.
What is the SMILES notation for 6-[(6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1-fluoronaphthalene-2-carbonitrile?
The canonical SMILES for 6-[(6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1-fluoronaphthalene-2-carbonitrile is C[C@@H]1CC[C@@H]2CC(c3ccc4c(F)c(C#N)ccc4c3)CCC2C1.
What is the InChIKey of 6-[(6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1-fluoronaphthalene-2-carbonitrile?
The InChIKey is GNBRCTSNMXQQOA-KZYLPZIUSA-N. The full InChI is InChI=1S/C22H24FN/c1-14-2-3-16-11-17(5-4-15(16)10-14)18-8-9-21-19(12-18)6-7-20(13-24)22(21)23/h6-9,12,14-17H,2-5,10-11H2,1H3/t14-,15?,16-,17?/m1/s1.
What are the key properties of 6-[(6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1-fluoronaphthalene-2-carbonitrile?
6-[(6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1-fluoronaphthalene-2-carbonitrile has a molecular weight of 321.44 g/mol, XLogP of 6.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1-fluoronaphthalene-2-carbonitrile is sourced from PubChem (CID 20808409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).