3-fluoro-6-(hydroxymethyl)-5-methyl-3,6-dihydro-2H-pyran-2-ol

C7H11FO3 — CID 89096661

IUPAC3-fluoro-6-(hydroxymethyl)-5-methyl-3,6-dihydro-2H-pyran-2-ol
SMILESCC1=CC(F)C(O)OC1CO
InChIInChI=1S/C7H11FO3/c1-4-2-5(8)7(10)11-6(4)3-9/h2,5-7,9-10H,3H2,1H3
InChIKeyGKCNOSVTPWNCJV-UHFFFAOYSA-N
MW162.16 g/mol
LogP-0.02
Rot. Bonds1

About 3-fluoro-6-(hydroxymethyl)-5-methyl-3,6-dihydro-2H-pyran-2-ol

3-fluoro-6-(hydroxymethyl)-5-methyl-3,6-dihydro-2H-pyran-2-ol (PubChem CID 89096661) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is 3-fluoro-6-(hydroxymethyl)-5-methyl-3,6-dihydro-2H-pyran-2-ol.

Molecular Properties

Compound Name3-fluoro-6-(hydroxymethyl)-5-methyl-3,6-dihydro-2H-pyran-2-ol
PubChem CID89096661
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name3-fluoro-6-(hydroxymethyl)-5-methyl-3,6-dihydro-2H-pyran-2-ol
SMILESCC1=CC(F)C(O)OC1CO
InChIInChI=1S/C7H11FO3/c1-4-2-5(8)7(10)11-6(4)3-9/h2,5-7,9-10H,3H2,1H3
InChIKeyGKCNOSVTPWNCJV-UHFFFAOYSA-N
XLogP-0.02
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-0.02
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 3-fluoro-6-(hydroxymethyl)-5-methyl-3,6-dihydro-2H-pyran-2-ol?
The IUPAC name of 3-fluoro-6-(hydroxymethyl)-5-methyl-3,6-dihydro-2H-pyran-2-ol (CID 89096661) is 3-fluoro-6-(hydroxymethyl)-5-methyl-3,6-dihydro-2H-pyran-2-ol.
What is the SMILES notation for 3-fluoro-6-(hydroxymethyl)-5-methyl-3,6-dihydro-2H-pyran-2-ol?
The canonical SMILES for 3-fluoro-6-(hydroxymethyl)-5-methyl-3,6-dihydro-2H-pyran-2-ol is CC1=CC(F)C(O)OC1CO.
What is the InChIKey of 3-fluoro-6-(hydroxymethyl)-5-methyl-3,6-dihydro-2H-pyran-2-ol?
The InChIKey is GKCNOSVTPWNCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO3/c1-4-2-5(8)7(10)11-6(4)3-9/h2,5-7,9-10H,3H2,1H3.
What are the key properties of 3-fluoro-6-(hydroxymethyl)-5-methyl-3,6-dihydro-2H-pyran-2-ol?
3-fluoro-6-(hydroxymethyl)-5-methyl-3,6-dihydro-2H-pyran-2-ol has a molecular weight of 162.16 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(hydroxymethyl)-5-methyl-3,6-dihydro-2H-pyran-2-ol is sourced from PubChem (CID 89096661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).