5,5-difluoro-6-(hydroxymethyl)-3,4-dimethyloxan-2-ol

C8H14F2O3 — CID 123554488

IUPAC5,5-difluoro-6-(hydroxymethyl)-3,4-dimethyloxan-2-ol
SMILESCC1C(O)OC(CO)C(F)(F)C1C
InChIInChI=1S/C8H14F2O3/c1-4-5(2)8(9,10)6(3-11)13-7(4)12/h4-7,11-12H,3H2,1-2H3
InChIKeyNGQISYGKIHWHMF-UHFFFAOYSA-N
MW196.19 g/mol
LogP0.60
Rot. Bonds1

About 5,5-difluoro-6-(hydroxymethyl)-3,4-dimethyloxan-2-ol

5,5-difluoro-6-(hydroxymethyl)-3,4-dimethyloxan-2-ol (PubChem CID 123554488) has the molecular formula C8H14F2O3 and a molecular weight of 196.19 g/mol. Its IUPAC name is 5,5-difluoro-6-(hydroxymethyl)-3,4-dimethyloxan-2-ol.

Molecular Properties

Compound Name5,5-difluoro-6-(hydroxymethyl)-3,4-dimethyloxan-2-ol
PubChem CID123554488
Molecular FormulaC8H14F2O3
Molecular Weight196.19 g/mol
Exact Mass196.09
IUPAC Name5,5-difluoro-6-(hydroxymethyl)-3,4-dimethyloxan-2-ol
SMILESCC1C(O)OC(CO)C(F)(F)C1C
InChIInChI=1S/C8H14F2O3/c1-4-5(2)8(9,10)6(3-11)13-7(4)12/h4-7,11-12H,3H2,1-2H3
InChIKeyNGQISYGKIHWHMF-UHFFFAOYSA-N
XLogP0.60
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-6-(hydroxymethyl)-3,4-dimethyloxan-2-ol?
The IUPAC name of 5,5-difluoro-6-(hydroxymethyl)-3,4-dimethyloxan-2-ol (CID 123554488) is 5,5-difluoro-6-(hydroxymethyl)-3,4-dimethyloxan-2-ol.
What is the SMILES notation for 5,5-difluoro-6-(hydroxymethyl)-3,4-dimethyloxan-2-ol?
The canonical SMILES for 5,5-difluoro-6-(hydroxymethyl)-3,4-dimethyloxan-2-ol is CC1C(O)OC(CO)C(F)(F)C1C.
What is the InChIKey of 5,5-difluoro-6-(hydroxymethyl)-3,4-dimethyloxan-2-ol?
The InChIKey is NGQISYGKIHWHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O3/c1-4-5(2)8(9,10)6(3-11)13-7(4)12/h4-7,11-12H,3H2,1-2H3.
What are the key properties of 5,5-difluoro-6-(hydroxymethyl)-3,4-dimethyloxan-2-ol?
5,5-difluoro-6-(hydroxymethyl)-3,4-dimethyloxan-2-ol has a molecular weight of 196.19 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-6-(hydroxymethyl)-3,4-dimethyloxan-2-ol is sourced from PubChem (CID 123554488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).