6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene

C23H29F3 — CID 139864840

IUPAC6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCc2cc(C3CCC4CC(C=C(F)F)CCC4C3)cc(F)c2C1
InChIInChI=1S/C23H29F3/c1-14-2-4-19-12-20(13-22(24)21(19)8-14)18-7-6-16-9-15(10-23(25)26)3-5-17(16)11-18/h10,12-18H,2-9,11H2,1H3
InChIKeyAYFQLKYDXNCMEK-UHFFFAOYSA-N
MW362.48 g/mol
LogP7.03
Rot. Bonds2

About 6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene

6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 139864840) has the molecular formula C23H29F3 and a molecular weight of 362.48 g/mol. Its IUPAC name is 6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID139864840
Molecular FormulaC23H29F3
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCc2cc(C3CCC4CC(C=C(F)F)CCC4C3)cc(F)c2C1
InChIInChI=1S/C23H29F3/c1-14-2-4-19-12-20(13-22(24)21(19)8-14)18-7-6-16-9-15(10-23(25)26)3-5-17(16)11-18/h10,12-18H,2-9,11H2,1H3
InChIKeyAYFQLKYDXNCMEK-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 139864670
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
8-fluoro-2-methyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865687
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
2-butyl-8-fluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139864649
8-fluoro-2-heptyl-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139864728
8-fluoro-6-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-heptyl-1,2,3,4-tetrahydronaphthalene
CID 139865227
2-ethyl-8-fluoro-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865355
2-ethyl-8-fluoro-6-(6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139866030
2-[(6R,8aR)-6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-methyl-1,2,3,4-tetrahydronaphthalene
CID 20808608
6-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-8-fluoro-2-heptyl-1,2,3,4-tetrahydronaphthalene
CID 139866064
2-(3,5-difluoro-4-methylphenyl)-6-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868610

Frequently Asked Questions

What is the IUPAC name of 6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene (CID 139864840) is 6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene is CC1CCc2cc(C3CCC4CC(C=C(F)F)CCC4C3)cc(F)c2C1.
What is the InChIKey of 6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is AYFQLKYDXNCMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3/c1-14-2-4-19-12-20(13-22(24)21(19)8-14)18-7-6-16-9-15(10-23(25)26)3-5-17(16)11-18/h10,12-18H,2-9,11H2,1H3.
What are the key properties of 6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?
6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 362.48 g/mol, XLogP of 7.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139864840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).