2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]oxirane

C6H9F3O — CID 23506092

IUPAC2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]oxirane
SMILESFCC(CF)(CF)C1CO1
InChIInChI=1S/C6H9F3O/c7-2-6(3-8,4-9)5-1-10-5/h5H,1-4H2
InChIKeyYLHAKUFDNXMZOP-UHFFFAOYSA-N
MW154.13 g/mol
LogP1.28
Rot. Bonds4

About 2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]oxirane

2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]oxirane (PubChem CID 23506092) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]oxirane.

Molecular Properties

Compound Name2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]oxirane
PubChem CID23506092
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]oxirane
SMILESFCC(CF)(CF)C1CO1
InChIInChI=1S/C6H9F3O/c7-2-6(3-8,4-9)5-1-10-5/h5H,1-4H2
InChIKeyYLHAKUFDNXMZOP-UHFFFAOYSA-N
XLogP1.28
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 51.28
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-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]oxirane?
The IUPAC name of 2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]oxirane (CID 23506092) is 2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]oxirane.
What is the SMILES notation for 2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]oxirane?
The canonical SMILES for 2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]oxirane is FCC(CF)(CF)C1CO1.
What is the InChIKey of 2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]oxirane?
The InChIKey is YLHAKUFDNXMZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c7-2-6(3-8,4-9)5-1-10-5/h5H,1-4H2.
What are the key properties of 2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]oxirane?
2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]oxirane has a molecular weight of 154.13 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]oxirane is sourced from PubChem (CID 23506092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).