ethene;2-methyloxirane;hydrofluoride

C5H11FO — CID 88726684

IUPACethene;2-methyloxirane;hydrofluoride
SMILESC=C.CC1CO1.F
InChIInChI=1S/C3H6O.C2H4.FH/c1-3-2-4-3;1-2;/h3H,2H2,1H3;1-2H2;1H
InChIKeyFAAWDSVXGSVBCX-UHFFFAOYSA-N
MW106.14 g/mol
LogP1.36
Rot. Bonds

About ethene;2-methyloxirane;hydrofluoride

ethene;2-methyloxirane;hydrofluoride (PubChem CID 88726684) has the molecular formula C5H11FO and a molecular weight of 106.14 g/mol. Its IUPAC name is ethene;2-methyloxirane;hydrofluoride.

Molecular Properties

Compound Nameethene;2-methyloxirane;hydrofluoride
PubChem CID88726684
Molecular FormulaC5H11FO
Molecular Weight106.14 g/mol
Exact Mass106.08
IUPAC Nameethene;2-methyloxirane;hydrofluoride
SMILESC=C.CC1CO1.F
InChIInChI=1S/C3H6O.C2H4.FH/c1-3-2-4-3;1-2;/h3H,2H2,1H3;1-2H2;1H
InChIKeyFAAWDSVXGSVBCX-UHFFFAOYSA-N
XLogP1.36
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.14
LogP ≤ 51.36
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-methyloxirane;hydrofluoride?
The IUPAC name of ethene;2-methyloxirane;hydrofluoride (CID 88726684) is ethene;2-methyloxirane;hydrofluoride.
What is the SMILES notation for ethene;2-methyloxirane;hydrofluoride?
The canonical SMILES for ethene;2-methyloxirane;hydrofluoride is C=C.CC1CO1.F.
What is the InChIKey of ethene;2-methyloxirane;hydrofluoride?
The InChIKey is FAAWDSVXGSVBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C2H4.FH/c1-3-2-4-3;1-2;/h3H,2H2,1H3;1-2H2;1H.
What are the key properties of ethene;2-methyloxirane;hydrofluoride?
ethene;2-methyloxirane;hydrofluoride has a molecular weight of 106.14 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-methyloxirane;hydrofluoride is sourced from PubChem (CID 88726684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).