[(2S)-2-fluorooxiran-2-yl]methanol

C3H5FO2 — CID 141069449

IUPAC[(2S)-2-fluorooxiran-2-yl]methanol
SMILESOC[C@]1(F)CO1
InChIInChI=1S/C3H5FO2/c4-3(1-5)2-6-3/h5H,1-2H2/t3-/m1/s1
InChIKeyXHROSJWNNXCBNS-GSVOUGTGSA-N
MW92.07 g/mol
LogP-0.33
Rot. Bonds1

About [(2S)-2-fluorooxiran-2-yl]methanol

[(2S)-2-fluorooxiran-2-yl]methanol (PubChem CID 141069449) has the molecular formula C3H5FO2 and a molecular weight of 92.07 g/mol. Its IUPAC name is [(2S)-2-fluorooxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-fluorooxiran-2-yl]methanol
PubChem CID141069449
Molecular FormulaC3H5FO2
Molecular Weight92.07 g/mol
Exact Mass92.03
IUPAC Name[(2S)-2-fluorooxiran-2-yl]methanol
SMILESOC[C@]1(F)CO1
InChIInChI=1S/C3H5FO2/c4-3(1-5)2-6-3/h5H,1-2H2/t3-/m1/s1
InChIKeyXHROSJWNNXCBNS-GSVOUGTGSA-N
XLogP-0.33
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.07
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-fluorooxiran-2-yl]methanol?
The IUPAC name of [(2S)-2-fluorooxiran-2-yl]methanol (CID 141069449) is [(2S)-2-fluorooxiran-2-yl]methanol.
What is the SMILES notation for [(2S)-2-fluorooxiran-2-yl]methanol?
The canonical SMILES for [(2S)-2-fluorooxiran-2-yl]methanol is OC[C@]1(F)CO1.
What is the InChIKey of [(2S)-2-fluorooxiran-2-yl]methanol?
The InChIKey is XHROSJWNNXCBNS-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H5FO2/c4-3(1-5)2-6-3/h5H,1-2H2/t3-/m1/s1.
What are the key properties of [(2S)-2-fluorooxiran-2-yl]methanol?
[(2S)-2-fluorooxiran-2-yl]methanol has a molecular weight of 92.07 g/mol, XLogP of -0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-fluorooxiran-2-yl]methanol is sourced from PubChem (CID 141069449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).