2-(hydroxymethyl)-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol

C7H9F3O4 — CID 175782068

IUPAC2-(hydroxymethyl)-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol
SMILESOCC1OC=C(C(F)(F)F)C(O)C1O
InChIInChI=1S/C7H9F3O4/c8-7(9,10)3-2-14-4(1-11)6(13)5(3)12/h2,4-6,11-13H,1H2
InChIKeyOGIPXFQDXYALGI-UHFFFAOYSA-N
MW214.14 g/mol
LogP-0.45
Rot. Bonds1

About 2-(hydroxymethyl)-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol

2-(hydroxymethyl)-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 175782068) has the molecular formula C7H9F3O4 and a molecular weight of 214.14 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID175782068
Molecular FormulaC7H9F3O4
Molecular Weight214.14 g/mol
Exact Mass214.05
IUPAC Name2-(hydroxymethyl)-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol
SMILESOCC1OC=C(C(F)(F)F)C(O)C1O
InChIInChI=1S/C7H9F3O4/c8-7(9,10)3-2-14-4(1-11)6(13)5(3)12/h2,4-6,11-13H,1H2
InChIKeyOGIPXFQDXYALGI-UHFFFAOYSA-N
XLogP-0.45
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of 2-(hydroxymethyl)-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol (CID 175782068) is 2-(hydroxymethyl)-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for 2-(hydroxymethyl)-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for 2-(hydroxymethyl)-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol is OCC1OC=C(C(F)(F)F)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is OGIPXFQDXYALGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O4/c8-7(9,10)3-2-14-4(1-11)6(13)5(3)12/h2,4-6,11-13H,1H2.
What are the key properties of 2-(hydroxymethyl)-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol?
2-(hydroxymethyl)-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 214.14 g/mol, XLogP of -0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 175782068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).