ethene;2-(fluoromethyl)oxirane

C5H9FO — CID 54333954

IUPACethene;2-(fluoromethyl)oxirane
SMILESC=C.FCC1CO1
InChIInChI=1S/C3H5FO.C2H4/c4-1-3-2-5-3;1-2/h3H,1-2H2;1-2H2
InChIKeyTUDDUBPUPKAVTB-UHFFFAOYSA-N
MW104.12 g/mol
LogP1.16
Rot. Bonds1

About ethene;2-(fluoromethyl)oxirane

ethene;2-(fluoromethyl)oxirane (PubChem CID 54333954) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is ethene;2-(fluoromethyl)oxirane.

Molecular Properties

Compound Nameethene;2-(fluoromethyl)oxirane
PubChem CID54333954
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Nameethene;2-(fluoromethyl)oxirane
SMILESC=C.FCC1CO1
InChIInChI=1S/C3H5FO.C2H4/c4-1-3-2-5-3;1-2/h3H,1-2H2;1-2H2
InChIKeyTUDDUBPUPKAVTB-UHFFFAOYSA-N
XLogP1.16
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.12
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;2-(fluoromethyl)oxirane?
The IUPAC name of ethene;2-(fluoromethyl)oxirane (CID 54333954) is ethene;2-(fluoromethyl)oxirane.
What is the SMILES notation for ethene;2-(fluoromethyl)oxirane?
The canonical SMILES for ethene;2-(fluoromethyl)oxirane is C=C.FCC1CO1.
What is the InChIKey of ethene;2-(fluoromethyl)oxirane?
The InChIKey is TUDDUBPUPKAVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO.C2H4/c4-1-3-2-5-3;1-2/h3H,1-2H2;1-2H2.
What are the key properties of ethene;2-(fluoromethyl)oxirane?
ethene;2-(fluoromethyl)oxirane has a molecular weight of 104.12 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-(fluoromethyl)oxirane is sourced from PubChem (CID 54333954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).