(8aR)-6-(difluoromethylidene)-8a-methyl-1,2-di(propan-2-yl)-1,2,3,5,7,8-hexahydronaphthalene

C18H28F2 — CID 59842323

IUPAC(8aR)-6-(difluoromethylidene)-8a-methyl-1,2-di(propan-2-yl)-1,2,3,5,7,8-hexahydronaphthalene
SMILESCC(C)C1CC=C2CC(=C(F)F)CC[C@]2(C)C1C(C)C
InChIInChI=1S/C18H28F2/c1-11(2)15-7-6-14-10-13(17(19)20)8-9-18(14,5)16(15)12(3)4/h6,11-12,15-16H,7-10H2,1-5H3/t15?,16?,18-/m0/s1
InChIKeyBMKCFYFWJOOGOT-HTWSVDAQSA-N
MW282.42 g/mol
LogP6.20
Rot. Bonds2

About (8aR)-6-(difluoromethylidene)-8a-methyl-1,2-di(propan-2-yl)-1,2,3,5,7,8-hexahydronaphthalene

(8aR)-6-(difluoromethylidene)-8a-methyl-1,2-di(propan-2-yl)-1,2,3,5,7,8-hexahydronaphthalene (PubChem CID 59842323) has the molecular formula C18H28F2 and a molecular weight of 282.42 g/mol. Its IUPAC name is (8aR)-6-(difluoromethylidene)-8a-methyl-1,2-di(propan-2-yl)-1,2,3,5,7,8-hexahydronaphthalene.

Molecular Properties

Compound Name(8aR)-6-(difluoromethylidene)-8a-methyl-1,2-di(propan-2-yl)-1,2,3,5,7,8-hexahydronaphthalene
PubChem CID59842323
Molecular FormulaC18H28F2
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(8aR)-6-(difluoromethylidene)-8a-methyl-1,2-di(propan-2-yl)-1,2,3,5,7,8-hexahydronaphthalene
SMILESCC(C)C1CC=C2CC(=C(F)F)CC[C@]2(C)C1C(C)C
InChIInChI=1S/C18H28F2/c1-11(2)15-7-6-14-10-13(17(19)20)8-9-18(14,5)16(15)12(3)4/h6,11-12,15-16H,7-10H2,1-5H3/t15?,16?,18-/m0/s1
InChIKeyBMKCFYFWJOOGOT-HTWSVDAQSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.42
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (8aR)-6-(difluoromethylidene)-8a-methyl-1,2-di(propan-2-yl)-1,2,3,5,7,8-hexahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8aR)-6-(difluoromethylidene)-8a-methyl-1,2-di(propan-2-yl)-1,2,3,5,7,8-hexahydronaphthalene?
The IUPAC name of (8aR)-6-(difluoromethylidene)-8a-methyl-1,2-di(propan-2-yl)-1,2,3,5,7,8-hexahydronaphthalene (CID 59842323) is (8aR)-6-(difluoromethylidene)-8a-methyl-1,2-di(propan-2-yl)-1,2,3,5,7,8-hexahydronaphthalene.
What is the SMILES notation for (8aR)-6-(difluoromethylidene)-8a-methyl-1,2-di(propan-2-yl)-1,2,3,5,7,8-hexahydronaphthalene?
The canonical SMILES for (8aR)-6-(difluoromethylidene)-8a-methyl-1,2-di(propan-2-yl)-1,2,3,5,7,8-hexahydronaphthalene is CC(C)C1CC=C2CC(=C(F)F)CC[C@]2(C)C1C(C)C.
What is the InChIKey of (8aR)-6-(difluoromethylidene)-8a-methyl-1,2-di(propan-2-yl)-1,2,3,5,7,8-hexahydronaphthalene?
The InChIKey is BMKCFYFWJOOGOT-HTWSVDAQSA-N. The full InChI is InChI=1S/C18H28F2/c1-11(2)15-7-6-14-10-13(17(19)20)8-9-18(14,5)16(15)12(3)4/h6,11-12,15-16H,7-10H2,1-5H3/t15?,16?,18-/m0/s1.
What are the key properties of (8aR)-6-(difluoromethylidene)-8a-methyl-1,2-di(propan-2-yl)-1,2,3,5,7,8-hexahydronaphthalene?
(8aR)-6-(difluoromethylidene)-8a-methyl-1,2-di(propan-2-yl)-1,2,3,5,7,8-hexahydronaphthalene has a molecular weight of 282.42 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-6-(difluoromethylidene)-8a-methyl-1,2-di(propan-2-yl)-1,2,3,5,7,8-hexahydronaphthalene is sourced from PubChem (CID 59842323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).