(3S)-3-fluorooxetan-2-one

C3H3FO2 — CID 102065200

IUPAC(3S)-3-fluorooxetan-2-one
SMILESO=C1OC[C@@H]1F
InChIInChI=1S/C3H3FO2/c4-2-1-6-3(2)5/h2H,1H2/t2-/m0/s1
InChIKeyQAASNXVFZQIXDD-REOHCLBHSA-N
MW90.05 g/mol
LogP-0.12
Rot. Bonds

About (3S)-3-fluorooxetan-2-one

(3S)-3-fluorooxetan-2-one (PubChem CID 102065200) has the molecular formula C3H3FO2 and a molecular weight of 90.05 g/mol. Its IUPAC name is (3S)-3-fluorooxetan-2-one.

Molecular Properties

Compound Name(3S)-3-fluorooxetan-2-one
PubChem CID102065200
Molecular FormulaC3H3FO2
Molecular Weight90.05 g/mol
Exact Mass90.01
IUPAC Name(3S)-3-fluorooxetan-2-one
SMILESO=C1OC[C@@H]1F
InChIInChI=1S/C3H3FO2/c4-2-1-6-3(2)5/h2H,1H2/t2-/m0/s1
InChIKeyQAASNXVFZQIXDD-REOHCLBHSA-N
XLogP-0.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.05
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluorooxetan-2-one?
The IUPAC name of (3S)-3-fluorooxetan-2-one (CID 102065200) is (3S)-3-fluorooxetan-2-one.
What is the SMILES notation for (3S)-3-fluorooxetan-2-one?
The canonical SMILES for (3S)-3-fluorooxetan-2-one is O=C1OC[C@@H]1F.
What is the InChIKey of (3S)-3-fluorooxetan-2-one?
The InChIKey is QAASNXVFZQIXDD-REOHCLBHSA-N. The full InChI is InChI=1S/C3H3FO2/c4-2-1-6-3(2)5/h2H,1H2/t2-/m0/s1.
What are the key properties of (3S)-3-fluorooxetan-2-one?
(3S)-3-fluorooxetan-2-one has a molecular weight of 90.05 g/mol, XLogP of -0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluorooxetan-2-one is sourced from PubChem (CID 102065200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).