2,2-difluoro-3,3-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxirane

C10F20O — CID 19887923

IUPAC2,2-difluoro-3,3-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxirane
SMILESFC(F)(F)C(C(F)(F)F)(C(F)(F)F)C1(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC1(F)F
InChIInChI=1S/C10F20O/c11-4(12,13)1(5(14,15)16,6(17,18)19)3(10(29,30)31-3)2(7(20,21)22,8(23,24)25)9(26,27)28
InChIKeyRQYLVHUGVCUWAM-UHFFFAOYSA-N
MW516.07 g/mol
LogP6.69
Rot. Bonds2

About 2,2-difluoro-3,3-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxirane

2,2-difluoro-3,3-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxirane (PubChem CID 19887923) has the molecular formula C10F20O and a molecular weight of 516.07 g/mol. Its IUPAC name is 2,2-difluoro-3,3-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxirane.

Molecular Properties

Compound Name2,2-difluoro-3,3-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxirane
PubChem CID19887923
Molecular FormulaC10F20O
Molecular Weight516.07 g/mol
Exact Mass515.96
IUPAC Name2,2-difluoro-3,3-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxirane
SMILESFC(F)(F)C(C(F)(F)F)(C(F)(F)F)C1(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC1(F)F
InChIInChI=1S/C10F20O/c11-4(12,13)1(5(14,15)16,6(17,18)19)3(10(29,30)31-3)2(7(20,21)22,8(23,24)25)9(26,27)28
InChIKeyRQYLVHUGVCUWAM-UHFFFAOYSA-N
XLogP6.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.07
LogP ≤ 56.69
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[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxirane?
The IUPAC name of 2,2-difluoro-3,3-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxirane (CID 19887923) is 2,2-difluoro-3,3-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxirane.
What is the SMILES notation for 2,2-difluoro-3,3-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxirane?
The canonical SMILES for 2,2-difluoro-3,3-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxirane is FC(F)(F)C(C(F)(F)F)(C(F)(F)F)C1(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC1(F)F.
What is the InChIKey of 2,2-difluoro-3,3-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxirane?
The InChIKey is RQYLVHUGVCUWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F20O/c11-4(12,13)1(5(14,15)16,6(17,18)19)3(10(29,30)31-3)2(7(20,21)22,8(23,24)25)9(26,27)28.
What are the key properties of 2,2-difluoro-3,3-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxirane?
2,2-difluoro-3,3-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxirane has a molecular weight of 516.07 g/mol, XLogP of 6.69, 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[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxirane is sourced from PubChem (CID 19887923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).