2,2-difluoro-3,3-bis(fluoromethyl)oxirane

C4H4F4O — CID 89191279

IUPAC2,2-difluoro-3,3-bis(fluoromethyl)oxirane
SMILESFCC1(CF)OC1(F)F
InChIInChI=1S/C4H4F4O/c5-1-3(2-6)4(7,8)9-3/h1-2H2
InChIKeyCPLUFMPPIWKYER-UHFFFAOYSA-N
MW144.07 g/mol
LogP1.29
Rot. Bonds2

About 2,2-difluoro-3,3-bis(fluoromethyl)oxirane

2,2-difluoro-3,3-bis(fluoromethyl)oxirane (PubChem CID 89191279) has the molecular formula C4H4F4O and a molecular weight of 144.07 g/mol. Its IUPAC name is 2,2-difluoro-3,3-bis(fluoromethyl)oxirane.

Molecular Properties

Compound Name2,2-difluoro-3,3-bis(fluoromethyl)oxirane
PubChem CID89191279
Molecular FormulaC4H4F4O
Molecular Weight144.07 g/mol
Exact Mass144.02
IUPAC Name2,2-difluoro-3,3-bis(fluoromethyl)oxirane
SMILESFCC1(CF)OC1(F)F
InChIInChI=1S/C4H4F4O/c5-1-3(2-6)4(7,8)9-3/h1-2H2
InChIKeyCPLUFMPPIWKYER-UHFFFAOYSA-N
XLogP1.29
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.07
LogP ≤ 51.29
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 2,2-difluoro-3,3-bis(fluoromethyl)oxirane?
The IUPAC name of 2,2-difluoro-3,3-bis(fluoromethyl)oxirane (CID 89191279) is 2,2-difluoro-3,3-bis(fluoromethyl)oxirane.
What is the SMILES notation for 2,2-difluoro-3,3-bis(fluoromethyl)oxirane?
The canonical SMILES for 2,2-difluoro-3,3-bis(fluoromethyl)oxirane is FCC1(CF)OC1(F)F.
What is the InChIKey of 2,2-difluoro-3,3-bis(fluoromethyl)oxirane?
The InChIKey is CPLUFMPPIWKYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4O/c5-1-3(2-6)4(7,8)9-3/h1-2H2.
What are the key properties of 2,2-difluoro-3,3-bis(fluoromethyl)oxirane?
2,2-difluoro-3,3-bis(fluoromethyl)oxirane has a molecular weight of 144.07 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,3-bis(fluoromethyl)oxirane is sourced from PubChem (CID 89191279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).