[(2S,5S)-2-(difluoromethyl)-3,3,4,4,5-pentamethyloxolan-2-yl]methanol

C11H20F2O2 — CID 147188375

IUPAC[(2S,5S)-2-(difluoromethyl)-3,3,4,4,5-pentamethyloxolan-2-yl]methanol
SMILESC[C@@H]1O[C@@](CO)(C(F)F)C(C)(C)C1(C)C
InChIInChI=1S/C11H20F2O2/c1-7-9(2,3)10(4,5)11(6-14,15-7)8(12)13/h7-8,14H,6H2,1-5H3/t7-,11-/m0/s1
InChIKeyCCKBMIJKCIADTA-CPCISQLKSA-N
MW222.27 g/mol
LogP2.45
Rot. Bonds2

About [(2S,5S)-2-(difluoromethyl)-3,3,4,4,5-pentamethyloxolan-2-yl]methanol

[(2S,5S)-2-(difluoromethyl)-3,3,4,4,5-pentamethyloxolan-2-yl]methanol (PubChem CID 147188375) has the molecular formula C11H20F2O2 and a molecular weight of 222.27 g/mol. Its IUPAC name is [(2S,5S)-2-(difluoromethyl)-3,3,4,4,5-pentamethyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-2-(difluoromethyl)-3,3,4,4,5-pentamethyloxolan-2-yl]methanol
PubChem CID147188375
Molecular FormulaC11H20F2O2
Molecular Weight222.27 g/mol
Exact Mass222.14
IUPAC Name[(2S,5S)-2-(difluoromethyl)-3,3,4,4,5-pentamethyloxolan-2-yl]methanol
SMILESC[C@@H]1O[C@@](CO)(C(F)F)C(C)(C)C1(C)C
InChIInChI=1S/C11H20F2O2/c1-7-9(2,3)10(4,5)11(6-14,15-7)8(12)13/h7-8,14H,6H2,1-5H3/t7-,11-/m0/s1
InChIKeyCCKBMIJKCIADTA-CPCISQLKSA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S,5S)-2-(difluoromethyl)-3,3,4,4,5-pentamethyloxolan-2-yl]methanol 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 [(2S,5S)-2-(difluoromethyl)-3,3,4,4,5-pentamethyloxolan-2-yl]methanol?
The IUPAC name of [(2S,5S)-2-(difluoromethyl)-3,3,4,4,5-pentamethyloxolan-2-yl]methanol (CID 147188375) is [(2S,5S)-2-(difluoromethyl)-3,3,4,4,5-pentamethyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-2-(difluoromethyl)-3,3,4,4,5-pentamethyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,5S)-2-(difluoromethyl)-3,3,4,4,5-pentamethyloxolan-2-yl]methanol is C[C@@H]1O[C@@](CO)(C(F)F)C(C)(C)C1(C)C.
What is the InChIKey of [(2S,5S)-2-(difluoromethyl)-3,3,4,4,5-pentamethyloxolan-2-yl]methanol?
The InChIKey is CCKBMIJKCIADTA-CPCISQLKSA-N. The full InChI is InChI=1S/C11H20F2O2/c1-7-9(2,3)10(4,5)11(6-14,15-7)8(12)13/h7-8,14H,6H2,1-5H3/t7-,11-/m0/s1.
What are the key properties of [(2S,5S)-2-(difluoromethyl)-3,3,4,4,5-pentamethyloxolan-2-yl]methanol?
[(2S,5S)-2-(difluoromethyl)-3,3,4,4,5-pentamethyloxolan-2-yl]methanol has a molecular weight of 222.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-2-(difluoromethyl)-3,3,4,4,5-pentamethyloxolan-2-yl]methanol is sourced from PubChem (CID 147188375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).