2-(difluoromethyl)oxirane-2-carbaldehyde

C4H4F2O2 — CID 130035124

IUPAC2-(difluoromethyl)oxirane-2-carbaldehyde
SMILESO=CC1(C(F)F)CO1
InChIInChI=1S/C4H4F2O2/c5-3(6)4(1-7)2-8-4/h1,3H,2H2
InChIKeyGVALPMUYGBYINH-UHFFFAOYSA-N
MW122.07 g/mol
LogP0.22
Rot. Bonds2

About 2-(difluoromethyl)oxirane-2-carbaldehyde

2-(difluoromethyl)oxirane-2-carbaldehyde (PubChem CID 130035124) has the molecular formula C4H4F2O2 and a molecular weight of 122.07 g/mol. Its IUPAC name is 2-(difluoromethyl)oxirane-2-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)oxirane-2-carbaldehyde
PubChem CID130035124
Molecular FormulaC4H4F2O2
Molecular Weight122.07 g/mol
Exact Mass122.02
IUPAC Name2-(difluoromethyl)oxirane-2-carbaldehyde
SMILESO=CC1(C(F)F)CO1
InChIInChI=1S/C4H4F2O2/c5-3(6)4(1-7)2-8-4/h1,3H,2H2
InChIKeyGVALPMUYGBYINH-UHFFFAOYSA-N
XLogP0.22
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.07
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)oxirane-2-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)oxirane-2-carbaldehyde (CID 130035124) is 2-(difluoromethyl)oxirane-2-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)oxirane-2-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)oxirane-2-carbaldehyde is O=CC1(C(F)F)CO1.
What is the InChIKey of 2-(difluoromethyl)oxirane-2-carbaldehyde?
The InChIKey is GVALPMUYGBYINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2O2/c5-3(6)4(1-7)2-8-4/h1,3H,2H2.
What are the key properties of 2-(difluoromethyl)oxirane-2-carbaldehyde?
2-(difluoromethyl)oxirane-2-carbaldehyde has a molecular weight of 122.07 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)oxirane-2-carbaldehyde is sourced from PubChem (CID 130035124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).