3,3-difluoro-2-(hydroxymethyl)-6-methyloxan-4-ol

C7H12F2O3 — CID 142172439

IUPAC3,3-difluoro-2-(hydroxymethyl)-6-methyloxan-4-ol
SMILESCC1CC(O)C(F)(F)C(CO)O1
InChIInChI=1S/C7H12F2O3/c1-4-2-5(11)7(8,9)6(3-10)12-4/h4-6,10-11H,2-3H2,1H3
InChIKeyMAGTZUAUGQYGGW-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.15
Rot. Bonds1

About 3,3-difluoro-2-(hydroxymethyl)-6-methyloxan-4-ol

3,3-difluoro-2-(hydroxymethyl)-6-methyloxan-4-ol (PubChem CID 142172439) has the molecular formula C7H12F2O3 and a molecular weight of 182.17 g/mol. Its IUPAC name is 3,3-difluoro-2-(hydroxymethyl)-6-methyloxan-4-ol.

Molecular Properties

Compound Name3,3-difluoro-2-(hydroxymethyl)-6-methyloxan-4-ol
PubChem CID142172439
Molecular FormulaC7H12F2O3
Molecular Weight182.17 g/mol
Exact Mass182.08
IUPAC Name3,3-difluoro-2-(hydroxymethyl)-6-methyloxan-4-ol
SMILESCC1CC(O)C(F)(F)C(CO)O1
InChIInChI=1S/C7H12F2O3/c1-4-2-5(11)7(8,9)6(3-10)12-4/h4-6,10-11H,2-3H2,1H3
InChIKeyMAGTZUAUGQYGGW-UHFFFAOYSA-N
XLogP0.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3-difluoro-2-(hydroxymethyl)-6-methyloxan-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

(2R,4R,6S)-3,3-difluoro-2-(hydroxymethyl)-6-methoxyoxan-4-ol
CID 54763879
[(2R)-3,3-difluoro-5-methyloxolan-2-yl]methanol
CID 88976409
(2R,4S)-3,3-difluoro-2-(hydroxymethyl)oxan-4-ol
CID 162599261
(2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)-4-methyloxan-3-ol
CID 59065136
(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 89372248
[(2R)-2,6-dimethyloxan-4-yl]methanol
CID 69262648
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 20758643
6-[5-[(4-ethylphenyl)methyl]-2-hydroxy-4-methylphenyl]-3,3-difluoro-2-(hydroxymethyl)oxan-4-ol
CID 146250110
CID 161264357
CID 161264357
[(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol
CID 171816838

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-(hydroxymethyl)-6-methyloxan-4-ol?
The IUPAC name of 3,3-difluoro-2-(hydroxymethyl)-6-methyloxan-4-ol (CID 142172439) is 3,3-difluoro-2-(hydroxymethyl)-6-methyloxan-4-ol.
What is the SMILES notation for 3,3-difluoro-2-(hydroxymethyl)-6-methyloxan-4-ol?
The canonical SMILES for 3,3-difluoro-2-(hydroxymethyl)-6-methyloxan-4-ol is CC1CC(O)C(F)(F)C(CO)O1.
What is the InChIKey of 3,3-difluoro-2-(hydroxymethyl)-6-methyloxan-4-ol?
The InChIKey is MAGTZUAUGQYGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O3/c1-4-2-5(11)7(8,9)6(3-10)12-4/h4-6,10-11H,2-3H2,1H3.
What are the key properties of 3,3-difluoro-2-(hydroxymethyl)-6-methyloxan-4-ol?
3,3-difluoro-2-(hydroxymethyl)-6-methyloxan-4-ol has a molecular weight of 182.17 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-(hydroxymethyl)-6-methyloxan-4-ol is sourced from PubChem (CID 142172439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).