2-(1,1-difluoro-2-methylpropan-2-yl)oxirane

C6H10F2O — CID 151201630

IUPAC2-(1,1-difluoro-2-methylpropan-2-yl)oxirane
SMILESCC(C)(C(F)F)C1CO1
InChIInChI=1S/C6H10F2O/c1-6(2,5(7)8)4-3-9-4/h4-5H,3H2,1-2H3
InChIKeyNIKSVLVPTXQDIE-UHFFFAOYSA-N
MW136.14 g/mol
LogP1.68
Rot. Bonds2

About 2-(1,1-difluoro-2-methylpropan-2-yl)oxirane

2-(1,1-difluoro-2-methylpropan-2-yl)oxirane (PubChem CID 151201630) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 2-(1,1-difluoro-2-methylpropan-2-yl)oxirane.

Molecular Properties

Compound Name2-(1,1-difluoro-2-methylpropan-2-yl)oxirane
PubChem CID151201630
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name2-(1,1-difluoro-2-methylpropan-2-yl)oxirane
SMILESCC(C)(C(F)F)C1CO1
InChIInChI=1S/C6H10F2O/c1-6(2,5(7)8)4-3-9-4/h4-5H,3H2,1-2H3
InChIKeyNIKSVLVPTXQDIE-UHFFFAOYSA-N
XLogP1.68
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.68
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-difluoro-2-methylpropan-2-yl)oxirane?
The IUPAC name of 2-(1,1-difluoro-2-methylpropan-2-yl)oxirane (CID 151201630) is 2-(1,1-difluoro-2-methylpropan-2-yl)oxirane.
What is the SMILES notation for 2-(1,1-difluoro-2-methylpropan-2-yl)oxirane?
The canonical SMILES for 2-(1,1-difluoro-2-methylpropan-2-yl)oxirane is CC(C)(C(F)F)C1CO1.
What is the InChIKey of 2-(1,1-difluoro-2-methylpropan-2-yl)oxirane?
The InChIKey is NIKSVLVPTXQDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-6(2,5(7)8)4-3-9-4/h4-5H,3H2,1-2H3.
What are the key properties of 2-(1,1-difluoro-2-methylpropan-2-yl)oxirane?
2-(1,1-difluoro-2-methylpropan-2-yl)oxirane has a molecular weight of 136.14 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2-methylpropan-2-yl)oxirane is sourced from PubChem (CID 151201630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).