(6R)-5,5-difluoro-6-(hydroxymethyl)-2,6-dihydropyran-2-ol

C6H8F2O3 — CID 131180664

IUPAC(6R)-5,5-difluoro-6-(hydroxymethyl)-2,6-dihydropyran-2-ol
SMILESOC[C@H]1OC(O)C=CC1(F)F
InChIInChI=1S/C6H8F2O3/c7-6(8)2-1-5(10)11-4(6)3-9/h1-2,4-5,9-10H,3H2/t4-,5?/m1/s1
InChIKeyXBGVZTFJBISICG-CNZKWPKMSA-N
MW166.12 g/mol
LogP-0.11
Rot. Bonds1

About (6R)-5,5-difluoro-6-(hydroxymethyl)-2,6-dihydropyran-2-ol

(6R)-5,5-difluoro-6-(hydroxymethyl)-2,6-dihydropyran-2-ol (PubChem CID 131180664) has the molecular formula C6H8F2O3 and a molecular weight of 166.12 g/mol. Its IUPAC name is (6R)-5,5-difluoro-6-(hydroxymethyl)-2,6-dihydropyran-2-ol.

Molecular Properties

Compound Name(6R)-5,5-difluoro-6-(hydroxymethyl)-2,6-dihydropyran-2-ol
PubChem CID131180664
Molecular FormulaC6H8F2O3
Molecular Weight166.12 g/mol
Exact Mass166.04
IUPAC Name(6R)-5,5-difluoro-6-(hydroxymethyl)-2,6-dihydropyran-2-ol
SMILESOC[C@H]1OC(O)C=CC1(F)F
InChIInChI=1S/C6H8F2O3/c7-6(8)2-1-5(10)11-4(6)3-9/h1-2,4-5,9-10H,3H2/t4-,5?/m1/s1
InChIKeyXBGVZTFJBISICG-CNZKWPKMSA-N
XLogP-0.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-5,5-difluoro-6-(hydroxymethyl)-2,6-dihydropyran-2-ol?
The IUPAC name of (6R)-5,5-difluoro-6-(hydroxymethyl)-2,6-dihydropyran-2-ol (CID 131180664) is (6R)-5,5-difluoro-6-(hydroxymethyl)-2,6-dihydropyran-2-ol.
What is the SMILES notation for (6R)-5,5-difluoro-6-(hydroxymethyl)-2,6-dihydropyran-2-ol?
The canonical SMILES for (6R)-5,5-difluoro-6-(hydroxymethyl)-2,6-dihydropyran-2-ol is OC[C@H]1OC(O)C=CC1(F)F.
What is the InChIKey of (6R)-5,5-difluoro-6-(hydroxymethyl)-2,6-dihydropyran-2-ol?
The InChIKey is XBGVZTFJBISICG-CNZKWPKMSA-N. The full InChI is InChI=1S/C6H8F2O3/c7-6(8)2-1-5(10)11-4(6)3-9/h1-2,4-5,9-10H,3H2/t4-,5?/m1/s1.
What are the key properties of (6R)-5,5-difluoro-6-(hydroxymethyl)-2,6-dihydropyran-2-ol?
(6R)-5,5-difluoro-6-(hydroxymethyl)-2,6-dihydropyran-2-ol has a molecular weight of 166.12 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5,5-difluoro-6-(hydroxymethyl)-2,6-dihydropyran-2-ol is sourced from PubChem (CID 131180664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).