1,7-difluoro-2-methoxy-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene

C24H30F2O — CID 22384314

IUPAC1,7-difluoro-2-methoxy-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
SMILESCCCC1CCC2CC(c3cc4ccc(OC)c(F)c4cc3F)CCC2C1
InChIInChI=1S/C24H30F2O/c1-3-4-15-5-6-17-12-18(8-7-16(17)11-15)20-13-19-9-10-23(27-2)24(26)21(19)14-22(20)25/h9-10,13-18H,3-8,11-12H2,1-2H3
InChIKeyXUQRANJLRRRWAA-UHFFFAOYSA-N
MW372.50 g/mol
LogP7.23
Rot. Bonds4

About 1,7-difluoro-2-methoxy-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene

1,7-difluoro-2-methoxy-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene (PubChem CID 22384314) has the molecular formula C24H30F2O and a molecular weight of 372.50 g/mol. Its IUPAC name is 1,7-difluoro-2-methoxy-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene.

Molecular Properties

Compound Name1,7-difluoro-2-methoxy-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
PubChem CID22384314
Molecular FormulaC24H30F2O
Molecular Weight372.50 g/mol
Exact Mass372.23
IUPAC Name1,7-difluoro-2-methoxy-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
SMILESCCCC1CCC2CC(c3cc4ccc(OC)c(F)c4cc3F)CCC2C1
InChIInChI=1S/C24H30F2O/c1-3-4-15-5-6-17-12-18(8-7-16(17)11-15)20-13-19-9-10-23(27-2)24(26)21(19)14-22(20)25/h9-10,13-18H,3-8,11-12H2,1-2H3
InChIKeyXUQRANJLRRRWAA-UHFFFAOYSA-N
XLogP7.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.50
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[(2R,4aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,7-difluoro-2-prop-2-enoxynaphthalene
CID 20807658
methyl 1,7-difluoro-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene-2-carboxylate
CID 22384858
1,7-difluoro-2-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxynaphthalene
CID 22383101
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
3-[(2R,4aR)-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,8-trifluoro-7-methoxynaphthalene
CID 20807504
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
7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 70228369
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
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
2-[4-(2-fluoro-4-methoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139869390
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
7-[(2R,4aR)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,8-trifluoro-3-methoxynaphthalene
CID 20807468

Frequently Asked Questions

What is the IUPAC name of 1,7-difluoro-2-methoxy-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene?
The IUPAC name of 1,7-difluoro-2-methoxy-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene (CID 22384314) is 1,7-difluoro-2-methoxy-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene.
What is the SMILES notation for 1,7-difluoro-2-methoxy-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene?
The canonical SMILES for 1,7-difluoro-2-methoxy-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene is CCCC1CCC2CC(c3cc4ccc(OC)c(F)c4cc3F)CCC2C1.
What is the InChIKey of 1,7-difluoro-2-methoxy-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene?
The InChIKey is XUQRANJLRRRWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2O/c1-3-4-15-5-6-17-12-18(8-7-16(17)11-15)20-13-19-9-10-23(27-2)24(26)21(19)14-22(20)25/h9-10,13-18H,3-8,11-12H2,1-2H3.
What are the key properties of 1,7-difluoro-2-methoxy-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene?
1,7-difluoro-2-methoxy-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene has a molecular weight of 372.50 g/mol, XLogP of 7.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-difluoro-2-methoxy-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene is sourced from PubChem (CID 22384314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).