4-fluoro-2H-pyran-2-ol

C5H5FO2 — CID 157076667

IUPAC4-fluoro-2H-pyran-2-ol
SMILESOC1C=C(F)C=CO1
InChIInChI=1S/C5H5FO2/c6-4-1-2-8-5(7)3-4/h1-3,5,7H
InChIKeyADAYAFFETQDAIT-UHFFFAOYSA-N
MW116.09 g/mol
LogP0.70
Rot. Bonds

About 4-fluoro-2H-pyran-2-ol

4-fluoro-2H-pyran-2-ol (PubChem CID 157076667) has the molecular formula C5H5FO2 and a molecular weight of 116.09 g/mol. Its IUPAC name is 4-fluoro-2H-pyran-2-ol.

Molecular Properties

Compound Name4-fluoro-2H-pyran-2-ol
PubChem CID157076667
Molecular FormulaC5H5FO2
Molecular Weight116.09 g/mol
Exact Mass116.03
IUPAC Name4-fluoro-2H-pyran-2-ol
SMILESOC1C=C(F)C=CO1
InChIInChI=1S/C5H5FO2/c6-4-1-2-8-5(7)3-4/h1-3,5,7H
InChIKeyADAYAFFETQDAIT-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 4-fluoro-2H-pyran-2-ol?
The IUPAC name of 4-fluoro-2H-pyran-2-ol (CID 157076667) is 4-fluoro-2H-pyran-2-ol.
What is the SMILES notation for 4-fluoro-2H-pyran-2-ol?
The canonical SMILES for 4-fluoro-2H-pyran-2-ol is OC1C=C(F)C=CO1.
What is the InChIKey of 4-fluoro-2H-pyran-2-ol?
The InChIKey is ADAYAFFETQDAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FO2/c6-4-1-2-8-5(7)3-4/h1-3,5,7H.
What are the key properties of 4-fluoro-2H-pyran-2-ol?
4-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 4-fluoro-2H-pyran-2-ol is sourced from PubChem (CID 157076667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).