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

C23H32F2O — CID 139864953

IUPAC6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCCOC1CCC2CC(c3cc4c(c(F)c3F)CC(C)CC4)CCC2C1
InChIInChI=1S/C23H32F2O/c1-3-26-19-9-8-15-11-17(7-6-16(15)12-19)21-13-18-5-4-14(2)10-20(18)22(24)23(21)25/h13-17,19H,3-12H2,1-2H3
InChIKeyMKAXEVKCVIKYDJ-UHFFFAOYSA-N
MW362.50 g/mol
LogP6.18
Rot. Bonds3

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

6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 139864953) has the molecular formula C23H32F2O and a molecular weight of 362.50 g/mol. Its IUPAC name is 6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID139864953
Molecular FormulaC23H32F2O
Molecular Weight362.50 g/mol
Exact Mass362.24
IUPAC Name6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCCOC1CCC2CC(c3cc4c(c(F)c3F)CC(C)CC4)CCC2C1
InChIInChI=1S/C23H32F2O/c1-3-26-19-9-8-15-11-17(7-6-16(15)12-19)21-13-18-5-4-14(2)10-20(18)22(24)23(21)25/h13-17,19H,3-12H2,1-2H3
InChIKeyMKAXEVKCVIKYDJ-UHFFFAOYSA-N
XLogP6.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Related Compounds

7,8-difluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 139864737
7,8-difluoro-2-methyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865499
2-butyl-7,8-difluoro-6-(6-hexoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865700
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
7,8-difluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139865327
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
5-fluoro-2-methyl-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139864735
6-[6-[(E)-but-2-enoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 139865466
8-fluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 139865240
7,8-difluoro-6-(6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 139864729
2-butyl-7,8-difluoro-6-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139864732

Frequently Asked Questions

What is the IUPAC name of 6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene (CID 139864953) is 6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene is CCOC1CCC2CC(c3cc4c(c(F)c3F)CC(C)CC4)CCC2C1.
What is the InChIKey of 6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is MKAXEVKCVIKYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F2O/c1-3-26-19-9-8-15-11-17(7-6-16(15)12-19)21-13-18-5-4-14(2)10-20(18)22(24)23(21)25/h13-17,19H,3-12H2,1-2H3.
What are the key properties of 6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?
6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 362.50 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139864953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).