2-(1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C15H20F6O — CID 59850786

IUPAC2-(1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1CCC2CCC3CCCC1C32)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H20F6O/c16-14(17,18)13(22,15(19,20)21)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h8-12,22H,1-7H2
InChIKeyWJIXAORZKKRKGU-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.69
Rot. Bonds1

About 2-(1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 59850786) has the molecular formula C15H20F6O and a molecular weight of 330.31 g/mol. Its IUPAC name is 2-(1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID59850786
Molecular FormulaC15H20F6O
Molecular Weight330.31 g/mol
Exact Mass330.14
IUPAC Name2-(1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1CCC2CCC3CCCC1C32)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H20F6O/c16-14(17,18)13(22,15(19,20)21)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h8-12,22H,1-7H2
InChIKeyWJIXAORZKKRKGU-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol 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 2-(1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 59850786) is 2-(1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(C1CCC2CCC3CCCC1C32)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is WJIXAORZKKRKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F6O/c16-14(17,18)13(22,15(19,20)21)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h8-12,22H,1-7H2.
What are the key properties of 2-(1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 330.31 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 59850786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).