2-(3,3-difluoroprop-2-enyl)-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C20H32F2 — CID 22983402

IUPAC2-(3,3-difluoroprop-2-enyl)-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CCC(C2CCC3CC(CC=C(F)F)CCC3C2)CC1
InChIInChI=1S/C20H32F2/c1-14-2-6-16(7-3-14)18-10-9-17-12-15(5-11-20(21)22)4-8-19(17)13-18/h11,14-19H,2-10,12-13H2,1H3
InChIKeyWSAYRRZOPJMWFN-UHFFFAOYSA-N
MW310.47 g/mol
LogP6.82
Rot. Bonds3

About 2-(3,3-difluoroprop-2-enyl)-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-(3,3-difluoroprop-2-enyl)-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 22983402) has the molecular formula C20H32F2 and a molecular weight of 310.47 g/mol. Its IUPAC name is 2-(3,3-difluoroprop-2-enyl)-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-(3,3-difluoroprop-2-enyl)-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID22983402
Molecular FormulaC20H32F2
Molecular Weight310.47 g/mol
Exact Mass310.25
IUPAC Name2-(3,3-difluoroprop-2-enyl)-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CCC(C2CCC3CC(CC=C(F)F)CCC3C2)CC1
InChIInChI=1S/C20H32F2/c1-14-2-6-16(7-3-14)18-10-9-17-12-15(5-11-20(21)22)4-8-19(17)13-18/h11,14-19H,2-10,12-13H2,1H3
InChIKeyWSAYRRZOPJMWFN-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.47
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoroprop-2-enyl)-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-(3,3-difluoroprop-2-enyl)-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 22983402) is 2-(3,3-difluoroprop-2-enyl)-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-(3,3-difluoroprop-2-enyl)-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-(3,3-difluoroprop-2-enyl)-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CC1CCC(C2CCC3CC(CC=C(F)F)CCC3C2)CC1.
What is the InChIKey of 2-(3,3-difluoroprop-2-enyl)-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is WSAYRRZOPJMWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32F2/c1-14-2-6-16(7-3-14)18-10-9-17-12-15(5-11-20(21)22)4-8-19(17)13-18/h11,14-19H,2-10,12-13H2,1H3.
What are the key properties of 2-(3,3-difluoroprop-2-enyl)-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-(3,3-difluoroprop-2-enyl)-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 310.47 g/mol, XLogP of 6.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroprop-2-enyl)-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 22983402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).