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

C22H26F2O — CID 20807536

IUPAC7-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoro-3-methoxynaphthalene
SMILESCOc1cc2ccc([C@@H]3CC[C@@H]4CC(C)CCC4C3)cc2c(F)c1F
InChIInChI=1S/C22H26F2O/c1-13-3-4-15-10-16(6-5-14(15)9-13)17-7-8-18-12-20(25-2)22(24)21(23)19(18)11-17/h7-8,11-16H,3-6,9-10H2,1-2H3/t13?,14-,15?,16-/m1/s1
InChIKeyQFHGALFOQJSTPM-GYTBAZASSA-N
MW344.45 g/mol
LogP6.45
Rot. Bonds2

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

7-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoro-3-methoxynaphthalene (PubChem CID 20807536) has the molecular formula C22H26F2O and a molecular weight of 344.45 g/mol. Its IUPAC name is 7-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoro-3-methoxynaphthalene.

Molecular Properties

Compound Name7-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoro-3-methoxynaphthalene
PubChem CID20807536
Molecular FormulaC22H26F2O
Molecular Weight344.45 g/mol
Exact Mass344.20
IUPAC Name7-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoro-3-methoxynaphthalene
SMILESCOc1cc2ccc([C@@H]3CC[C@@H]4CC(C)CCC4C3)cc2c(F)c1F
InChIInChI=1S/C22H26F2O/c1-13-3-4-15-10-16(6-5-14(15)9-13)17-7-8-18-12-20(25-2)22(24)21(23)19(18)11-17/h7-8,11-16H,3-6,9-10H2,1-2H3/t13?,14-,15?,16-/m1/s1
InChIKeyQFHGALFOQJSTPM-GYTBAZASSA-N
XLogP6.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Related Compounds

1,2,8-trifluoro-3-methoxy-7-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22383656
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
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
1,2-difluoro-3-methoxy-7-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene
CID 139863353
2-[4-(3-fluoro-4-methoxyphenyl)phenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384938
6-[(6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1-fluoronaphthalene-2-carbonitrile
CID 20808409
3-[(E)-but-2-enoxy]-1,2-difluoro-7-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22385232
1,2,3-trifluoro-6-[6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]naphthalene
CID 139867617
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
2-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluorophenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384447
7-[(2R,4aR)-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoro-3-prop-2-enoxynaphthalene
CID 20807521
7-[(2R,4aR)-6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-[(E)-but-2-enoxy]-1,2-difluoronaphthalene
CID 20807539

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoro-3-methoxynaphthalene?
The IUPAC name of 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) is 7-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoro-3-methoxynaphthalene.
What is the SMILES notation for 7-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoro-3-methoxynaphthalene?
The canonical SMILES for 7-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoro-3-methoxynaphthalene is COc1cc2ccc([C@@H]3CC[C@@H]4CC(C)CCC4C3)cc2c(F)c1F.
What is the InChIKey of 7-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoro-3-methoxynaphthalene?
The InChIKey is QFHGALFOQJSTPM-GYTBAZASSA-N. The full InChI is InChI=1S/C22H26F2O/c1-13-3-4-15-10-16(6-5-14(15)9-13)17-7-8-18-12-20(25-2)22(24)21(23)19(18)11-17/h7-8,11-16H,3-6,9-10H2,1-2H3/t13?,14-,15?,16-/m1/s1.
What are the key properties of 7-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoro-3-methoxynaphthalene?
7-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoro-3-methoxynaphthalene has a molecular weight of 344.45 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoro-3-methoxynaphthalene is sourced from PubChem (CID 20807536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).