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

C25H37FO — CID 139865268

IUPAC6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-fluoro-2-propyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCC1CCc2c(ccc(C3CCC4CC(OCC)CCC4C3)c2F)C1
InChIInChI=1S/C25H37FO/c1-3-5-17-6-12-23-20(14-17)10-13-24(25(23)26)21-8-7-19-16-22(27-4-2)11-9-18(19)15-21/h10,13,17-19,21-22H,3-9,11-12,14-16H2,1-2H3
InChIKeyAXRQSUAOTBBRQK-UHFFFAOYSA-N
MW372.57 g/mol
LogP6.82
Rot. Bonds5

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

6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-fluoro-2-propyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 139865268) has the molecular formula C25H37FO and a molecular weight of 372.57 g/mol. Its IUPAC name is 6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-fluoro-2-propyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-fluoro-2-propyl-1,2,3,4-tetrahydronaphthalene
PubChem CID139865268
Molecular FormulaC25H37FO
Molecular Weight372.57 g/mol
Exact Mass372.28
IUPAC Name6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-fluoro-2-propyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCC1CCc2c(ccc(C3CCC4CC(OCC)CCC4C3)c2F)C1
InChIInChI=1S/C25H37FO/c1-3-5-17-6-12-23-20(14-17)10-13-24(25(23)26)21-8-7-19-16-22(27-4-2)11-9-18(19)15-21/h10,13,17-19,21-22H,3-9,11-12,14-16H2,1-2H3
InChIKeyAXRQSUAOTBBRQK-UHFFFAOYSA-N
XLogP6.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.57
LogP ≤ 56.82
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)-5-fluoro-2-propyl-1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

5-fluoro-2-hexyl-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139866016
5-fluoro-2-hexyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865631
5-fluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139865954
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
5-fluoro-2-hexyl-6-[6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 139865603
5-fluoro-6-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139865107
5,7-difluoro-6-(6-hexoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-hexyl-1,2,3,4-tetrahydronaphthalene
CID 139864756
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-fluoro-2-heptyl-6-(6-propoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139864831
5,7-difluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 139865413
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
2-(2,3-difluoro-4-methylphenyl)-6-(4-ethoxycyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868812

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)-5-fluoro-2-propyl-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)-5-fluoro-2-propyl-1,2,3,4-tetrahydronaphthalene (CID 139865268) is 6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-fluoro-2-propyl-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)-5-fluoro-2-propyl-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)-5-fluoro-2-propyl-1,2,3,4-tetrahydronaphthalene is CCCC1CCc2c(ccc(C3CCC4CC(OCC)CCC4C3)c2F)C1.
What is the InChIKey of 6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-fluoro-2-propyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is AXRQSUAOTBBRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37FO/c1-3-5-17-6-12-23-20(14-17)10-13-24(25(23)26)21-8-7-19-16-22(27-4-2)11-9-18(19)15-21/h10,13,17-19,21-22H,3-9,11-12,14-16H2,1-2H3.
What are the key properties of 6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-fluoro-2-propyl-1,2,3,4-tetrahydronaphthalene?
6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-fluoro-2-propyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 372.57 g/mol, XLogP of 6.82, 5 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)-5-fluoro-2-propyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139865268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).