(2S)-2-(fluoromethyl)oxirane

C3H5FO — CID 6999953

IUPAC(2S)-2-(fluoromethyl)oxirane
SMILESFC[C@@H]1CO1
InChIInChI=1S/C3H5FO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m1/s1
InChIKeyOIFAHDAXIUURLN-GSVOUGTGSA-N
MW76.07 g/mol
LogP0.35
Rot. Bonds1

About (2S)-2-(fluoromethyl)oxirane

(2S)-2-(fluoromethyl)oxirane (PubChem CID 6999953) has the molecular formula C3H5FO and a molecular weight of 76.07 g/mol. Its IUPAC name is (2S)-2-(fluoromethyl)oxirane.

Molecular Properties

Compound Name(2S)-2-(fluoromethyl)oxirane
PubChem CID6999953
Molecular FormulaC3H5FO
Molecular Weight76.07 g/mol
Exact Mass76.03
IUPAC Name(2S)-2-(fluoromethyl)oxirane
SMILESFC[C@@H]1CO1
InChIInChI=1S/C3H5FO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m1/s1
InChIKeyOIFAHDAXIUURLN-GSVOUGTGSA-N
XLogP0.35
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.07
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-Epoxy-3-fluoropropane
CID 10418
2-(Trifluoromethyl)oxirane
CID 520769
(2R)-2-(trifluoromethyl)oxirane
CID 7016923
(2S)-2-(Trifluoromethyl)oxirane
CID 7171781
2-(Difluoromethyl)oxirane
CID 86215874
(R)-2-(Fluoromethyl)oxirane
CID 6992623
(R)-2-(Difluoromethyl)oxirane
CID 137958538
(2S)-2-(difluoromethyl)oxirane
CID 140883492
2-((18F)fluoromethyl)oxirane
CID 12603404
2-(1-Fluoroethyl)oxirane
CID 14364405
2-Fluoro-2-methyloxirane
CID 20580032
2,2-Difluoro-3-(fluoromethyl)oxirane
CID 20778330

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(fluoromethyl)oxirane?
The IUPAC name of (2S)-2-(fluoromethyl)oxirane (CID 6999953) is (2S)-2-(fluoromethyl)oxirane.
What is the SMILES notation for (2S)-2-(fluoromethyl)oxirane?
The canonical SMILES for (2S)-2-(fluoromethyl)oxirane is FC[C@@H]1CO1.
What is the InChIKey of (2S)-2-(fluoromethyl)oxirane?
The InChIKey is OIFAHDAXIUURLN-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H5FO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m1/s1.
What are the key properties of (2S)-2-(fluoromethyl)oxirane?
(2S)-2-(fluoromethyl)oxirane has a molecular weight of 76.07 g/mol, XLogP of 0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(fluoromethyl)oxirane is sourced from PubChem (CID 6999953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).