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

C23H30F2 — CID 139864670

IUPAC6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCc2cc(C3CCC4CC(C=C(F)F)CCC4C3)ccc2C1
InChIInChI=1S/C23H30F2/c1-15-2-4-19-13-21(8-6-17(19)10-15)22-9-7-18-11-16(12-23(24)25)3-5-20(18)14-22/h6,8,12-13,15-16,18,20,22H,2-5,7,9-11,14H2,1H3
InChIKeyRTRSKDMXADRERG-UHFFFAOYSA-N
MW344.49 g/mol
LogP6.89
Rot. Bonds2

About 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

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 (PubChem CID 139864670) has the molecular formula C23H30F2 and a molecular weight of 344.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID139864670
Molecular FormulaC23H30F2
Molecular Weight344.49 g/mol
Exact Mass344.23
IUPAC Name6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCc2cc(C3CCC4CC(C=C(F)F)CCC4C3)ccc2C1
InChIInChI=1S/C23H30F2/c1-15-2-4-19-13-21(8-6-17(19)10-15)22-9-7-18-11-16(12-23(24)25)3-5-20(18)14-22/h6,8,12-13,15-16,18,20,22H,2-5,7,9-11,14H2,1H3
InChIKeyRTRSKDMXADRERG-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.49
LogP ≤ 56.89
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]-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]-8-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 139864840
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
2-methyl-6-(6-pentoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139864800
2-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-heptyl-1,2,3,4-tetrahydronaphthalene
CID 22383632
6-[(E)-but-2-enoxy]-2-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 22383813
2-propyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139864792
2-butyl-6-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865614
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
(4aR,6R,8aR)-2-(3,4-difluorophenyl)-6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809609
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-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139865642
2-hexyl-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865964

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]-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]-2-methyl-1,2,3,4-tetrahydronaphthalene (CID 139864670) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCc2cc(C3CCC4CC(C=C(F)F)CCC4C3)ccc2C1.
What is the InChIKey of 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?
The InChIKey is RTRSKDMXADRERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2/c1-15-2-4-19-13-21(8-6-17(19)10-15)22-9-7-18-11-16(12-23(24)25)3-5-20(18)14-22/h6,8,12-13,15-16,18,20,22H,2-5,7,9-11,14H2,1H3.
What are the key properties of 6-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-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]-2-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 344.49 g/mol, XLogP of 6.89, 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]-2-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139864670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).