2-(1,1,1-trifluoropropan-2-yl)oxirane

C5H7F3O — CID 90191541

IUPAC2-(1,1,1-trifluoropropan-2-yl)oxirane
SMILESCC(C1CO1)C(F)(F)F
InChIInChI=1S/C5H7F3O/c1-3(4-2-9-4)5(6,7)8/h3-4H,2H2,1H3
InChIKeyAYVNZJDARZUBTO-UHFFFAOYSA-N
MW140.10 g/mol
LogP1.58
Rot. Bonds1

About 2-(1,1,1-trifluoropropan-2-yl)oxirane

2-(1,1,1-trifluoropropan-2-yl)oxirane (PubChem CID 90191541) has the molecular formula C5H7F3O and a molecular weight of 140.10 g/mol. Its IUPAC name is 2-(1,1,1-trifluoropropan-2-yl)oxirane.

Molecular Properties

Compound Name2-(1,1,1-trifluoropropan-2-yl)oxirane
PubChem CID90191541
Molecular FormulaC5H7F3O
Molecular Weight140.10 g/mol
Exact Mass140.04
IUPAC Name2-(1,1,1-trifluoropropan-2-yl)oxirane
SMILESCC(C1CO1)C(F)(F)F
InChIInChI=1S/C5H7F3O/c1-3(4-2-9-4)5(6,7)8/h3-4H,2H2,1H3
InChIKeyAYVNZJDARZUBTO-UHFFFAOYSA-N
XLogP1.58
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoropropan-2-yl)oxirane?
The IUPAC name of 2-(1,1,1-trifluoropropan-2-yl)oxirane (CID 90191541) is 2-(1,1,1-trifluoropropan-2-yl)oxirane.
What is the SMILES notation for 2-(1,1,1-trifluoropropan-2-yl)oxirane?
The canonical SMILES for 2-(1,1,1-trifluoropropan-2-yl)oxirane is CC(C1CO1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluoropropan-2-yl)oxirane?
The InChIKey is AYVNZJDARZUBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O/c1-3(4-2-9-4)5(6,7)8/h3-4H,2H2,1H3.
What are the key properties of 2-(1,1,1-trifluoropropan-2-yl)oxirane?
2-(1,1,1-trifluoropropan-2-yl)oxirane has a molecular weight of 140.10 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoropropan-2-yl)oxirane is sourced from PubChem (CID 90191541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).