2-(3,3,3-trifluoroprop-1-enoxymethyl)oxirane

C6H7F3O2 — CID 76837659

IUPAC2-(3,3,3-trifluoroprop-1-enoxymethyl)oxirane
SMILESFC(F)(F)C=COCC1CO1
InChIInChI=1S/C6H7F3O2/c7-6(8,9)1-2-10-3-5-4-11-5/h1-2,5H,3-4H2
InChIKeyGICIUIAHASCOOV-UHFFFAOYSA-N
MW168.11 g/mol
LogP1.48
Rot. Bonds3

About 2-(3,3,3-trifluoroprop-1-enoxymethyl)oxirane

2-(3,3,3-trifluoroprop-1-enoxymethyl)oxirane (PubChem CID 76837659) has the molecular formula C6H7F3O2 and a molecular weight of 168.11 g/mol. Its IUPAC name is 2-(3,3,3-trifluoroprop-1-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(3,3,3-trifluoroprop-1-enoxymethyl)oxirane
PubChem CID76837659
Molecular FormulaC6H7F3O2
Molecular Weight168.11 g/mol
Exact Mass168.04
IUPAC Name2-(3,3,3-trifluoroprop-1-enoxymethyl)oxirane
SMILESFC(F)(F)C=COCC1CO1
InChIInChI=1S/C6H7F3O2/c7-6(8,9)1-2-10-3-5-4-11-5/h1-2,5H,3-4H2
InChIKeyGICIUIAHASCOOV-UHFFFAOYSA-N
XLogP1.48
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-(3,3,3-trifluoroprop-1-enoxymethyl)oxirane?
The IUPAC name of 2-(3,3,3-trifluoroprop-1-enoxymethyl)oxirane (CID 76837659) is 2-(3,3,3-trifluoroprop-1-enoxymethyl)oxirane.
What is the SMILES notation for 2-(3,3,3-trifluoroprop-1-enoxymethyl)oxirane?
The canonical SMILES for 2-(3,3,3-trifluoroprop-1-enoxymethyl)oxirane is FC(F)(F)C=COCC1CO1.
What is the InChIKey of 2-(3,3,3-trifluoroprop-1-enoxymethyl)oxirane?
The InChIKey is GICIUIAHASCOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O2/c7-6(8,9)1-2-10-3-5-4-11-5/h1-2,5H,3-4H2.
What are the key properties of 2-(3,3,3-trifluoroprop-1-enoxymethyl)oxirane?
2-(3,3,3-trifluoroprop-1-enoxymethyl)oxirane has a molecular weight of 168.11 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoroprop-1-enoxymethyl)oxirane is sourced from PubChem (CID 76837659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).