2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile

C6H8FNO3 — CID 141325481

IUPAC2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
SMILESN#CC1(F)CC(O)C(CO)O1
InChIInChI=1S/C6H8FNO3/c7-6(3-8)1-4(10)5(2-9)11-6/h4-5,9-10H,1-2H2
InChIKeyPDPUNXPQMSKIBB-UHFFFAOYSA-N
MW161.13 g/mol
LogP-0.68
Rot. Bonds1

About 2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile

2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile (PubChem CID 141325481) has the molecular formula C6H8FNO3 and a molecular weight of 161.13 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
PubChem CID141325481
Molecular FormulaC6H8FNO3
Molecular Weight161.13 g/mol
Exact Mass161.05
IUPAC Name2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
SMILESN#CC1(F)CC(O)C(CO)O1
InChIInChI=1S/C6H8FNO3/c7-6(3-8)1-4(10)5(2-9)11-6/h4-5,9-10H,1-2H2
InChIKeyPDPUNXPQMSKIBB-UHFFFAOYSA-N
XLogP-0.68
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.13
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile?
The IUPAC name of 2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile (CID 141325481) is 2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile.
What is the SMILES notation for 2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile?
The canonical SMILES for 2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile is N#CC1(F)CC(O)C(CO)O1.
What is the InChIKey of 2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile?
The InChIKey is PDPUNXPQMSKIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO3/c7-6(3-8)1-4(10)5(2-9)11-6/h4-5,9-10H,1-2H2.
What are the key properties of 2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile?
2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile has a molecular weight of 161.13 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile is sourced from PubChem (CID 141325481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).