2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)oxirane

C7H2F12O — CID 88925542

IUPAC2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)CO1
InChIInChI=1S/C7H2F12O/c8-3(6(14,15)16,7(17,18)19)4(9,10)2(1-20-2)5(11,12)13/h1H2
InChIKeyIFSMQHYHIPUYBH-UHFFFAOYSA-N
MW330.07 g/mol
LogP3.79
Rot. Bonds2

About 2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)oxirane

2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)oxirane (PubChem CID 88925542) has the molecular formula C7H2F12O and a molecular weight of 330.07 g/mol. Its IUPAC name is 2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)oxirane
PubChem CID88925542
Molecular FormulaC7H2F12O
Molecular Weight330.07 g/mol
Exact Mass329.99
IUPAC Name2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)CO1
InChIInChI=1S/C7H2F12O/c8-3(6(14,15)16,7(17,18)19)4(9,10)2(1-20-2)5(11,12)13/h1H2
InChIKeyIFSMQHYHIPUYBH-UHFFFAOYSA-N
XLogP3.79
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.07
LogP ≤ 53.79
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-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)oxirane?
The IUPAC name of 2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)oxirane (CID 88925542) is 2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)oxirane?
The canonical SMILES for 2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)oxirane is FC(F)(F)C1(C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)CO1.
What is the InChIKey of 2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)oxirane?
The InChIKey is IFSMQHYHIPUYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F12O/c8-3(6(14,15)16,7(17,18)19)4(9,10)2(1-20-2)5(11,12)13/h1H2.
What are the key properties of 2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)oxirane?
2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)oxirane has a molecular weight of 330.07 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)oxirane is sourced from PubChem (CID 88925542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).