3-fluoro-2H-pyran-2-ol

C5H5FO2 — CID 173178233

IUPAC3-fluoro-2H-pyran-2-ol
SMILESOC1OC=CC=C1F
InChIInChI=1S/C5H5FO2/c6-4-2-1-3-8-5(4)7/h1-3,5,7H
InChIKeyIKNYQFGCSGWZPN-UHFFFAOYSA-N
MW116.09 g/mol
LogP0.70
Rot. Bonds

About 3-fluoro-2H-pyran-2-ol

3-fluoro-2H-pyran-2-ol (PubChem CID 173178233) has the molecular formula C5H5FO2 and a molecular weight of 116.09 g/mol. Its IUPAC name is 3-fluoro-2H-pyran-2-ol.

Molecular Properties

Compound Name3-fluoro-2H-pyran-2-ol
PubChem CID173178233
Molecular FormulaC5H5FO2
Molecular Weight116.09 g/mol
Exact Mass116.03
IUPAC Name3-fluoro-2H-pyran-2-ol
SMILESOC1OC=CC=C1F
InChIInChI=1S/C5H5FO2/c6-4-2-1-3-8-5(4)7/h1-3,5,7H
InChIKeyIKNYQFGCSGWZPN-UHFFFAOYSA-N
XLogP0.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.09
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2H-pyran-2-ol?
The IUPAC name of 3-fluoro-2H-pyran-2-ol (CID 173178233) is 3-fluoro-2H-pyran-2-ol.
What is the SMILES notation for 3-fluoro-2H-pyran-2-ol?
The canonical SMILES for 3-fluoro-2H-pyran-2-ol is OC1OC=CC=C1F.
What is the InChIKey of 3-fluoro-2H-pyran-2-ol?
The InChIKey is IKNYQFGCSGWZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FO2/c6-4-2-1-3-8-5(4)7/h1-3,5,7H.
What are the key properties of 3-fluoro-2H-pyran-2-ol?
3-fluoro-2H-pyran-2-ol has a molecular weight of 116.09 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2H-pyran-2-ol is sourced from PubChem (CID 173178233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).