2-(2,3,3,3-tetrafluoro-2-methylpropyl)oxirane

C6H8F4O — CID 18702695

IUPAC2-(2,3,3,3-tetrafluoro-2-methylpropyl)oxirane
SMILESCC(F)(CC1CO1)C(F)(F)F
InChIInChI=1S/C6H8F4O/c1-5(7,6(8,9)10)2-4-3-11-4/h4H,2-3H2,1H3
InChIKeyFZGHTNRQLNVQES-UHFFFAOYSA-N
MW172.12 g/mol
LogP2.07
Rot. Bonds2

About 2-(2,3,3,3-tetrafluoro-2-methylpropyl)oxirane

2-(2,3,3,3-tetrafluoro-2-methylpropyl)oxirane (PubChem CID 18702695) has the molecular formula C6H8F4O and a molecular weight of 172.12 g/mol. Its IUPAC name is 2-(2,3,3,3-tetrafluoro-2-methylpropyl)oxirane.

Molecular Properties

Compound Name2-(2,3,3,3-tetrafluoro-2-methylpropyl)oxirane
PubChem CID18702695
Molecular FormulaC6H8F4O
Molecular Weight172.12 g/mol
Exact Mass172.05
IUPAC Name2-(2,3,3,3-tetrafluoro-2-methylpropyl)oxirane
SMILESCC(F)(CC1CO1)C(F)(F)F
InChIInChI=1S/C6H8F4O/c1-5(7,6(8,9)10)2-4-3-11-4/h4H,2-3H2,1H3
InChIKeyFZGHTNRQLNVQES-UHFFFAOYSA-N
XLogP2.07
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 52.07
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-(2,3,3,3-tetrafluoro-2-methylpropyl)oxirane?
The IUPAC name of 2-(2,3,3,3-tetrafluoro-2-methylpropyl)oxirane (CID 18702695) is 2-(2,3,3,3-tetrafluoro-2-methylpropyl)oxirane.
What is the SMILES notation for 2-(2,3,3,3-tetrafluoro-2-methylpropyl)oxirane?
The canonical SMILES for 2-(2,3,3,3-tetrafluoro-2-methylpropyl)oxirane is CC(F)(CC1CO1)C(F)(F)F.
What is the InChIKey of 2-(2,3,3,3-tetrafluoro-2-methylpropyl)oxirane?
The InChIKey is FZGHTNRQLNVQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4O/c1-5(7,6(8,9)10)2-4-3-11-4/h4H,2-3H2,1H3.
What are the key properties of 2-(2,3,3,3-tetrafluoro-2-methylpropyl)oxirane?
2-(2,3,3,3-tetrafluoro-2-methylpropyl)oxirane has a molecular weight of 172.12 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3,3-tetrafluoro-2-methylpropyl)oxirane is sourced from PubChem (CID 18702695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).