2-[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(trifluoromethyl)pentan-3-yl]-3-fluoro-2,3-bis(trifluoromethyl)oxirane

C10F20O — CID 11092502

IUPAC2-[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(trifluoromethyl)pentan-3-yl]-3-fluoro-2,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C(F)(F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C1(C(F)(F)F)OC1(F)C(F)(F)F
InChIInChI=1S/C10F20O/c11-3(12,8(22,23)24)1(6(16,17)18,4(13,14)9(25,26)27)2(7(19,20)21)5(15,31-2)10(28,29)30
InChIKeyDWONTKLOIUJQOD-UHFFFAOYSA-N
MW516.07 g/mol
LogP6.49
Rot. Bonds3

About 2-[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(trifluoromethyl)pentan-3-yl]-3-fluoro-2,3-bis(trifluoromethyl)oxirane

2-[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(trifluoromethyl)pentan-3-yl]-3-fluoro-2,3-bis(trifluoromethyl)oxirane (PubChem CID 11092502) has the molecular formula C10F20O and a molecular weight of 516.07 g/mol. Its IUPAC name is 2-[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(trifluoromethyl)pentan-3-yl]-3-fluoro-2,3-bis(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(trifluoromethyl)pentan-3-yl]-3-fluoro-2,3-bis(trifluoromethyl)oxirane
PubChem CID11092502
Molecular FormulaC10F20O
Molecular Weight516.07 g/mol
Exact Mass515.96
IUPAC Name2-[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(trifluoromethyl)pentan-3-yl]-3-fluoro-2,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C(F)(F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C1(C(F)(F)F)OC1(F)C(F)(F)F
InChIInChI=1S/C10F20O/c11-3(12,8(22,23)24)1(6(16,17)18,4(13,14)9(25,26)27)2(7(19,20)21)5(15,31-2)10(28,29)30
InChIKeyDWONTKLOIUJQOD-UHFFFAOYSA-N
XLogP6.49
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.07
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(trifluoromethyl)pentan-3-yl]-3-fluoro-2,3-bis(trifluoromethyl)oxirane?
The IUPAC name of 2-[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(trifluoromethyl)pentan-3-yl]-3-fluoro-2,3-bis(trifluoromethyl)oxirane (CID 11092502) is 2-[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(trifluoromethyl)pentan-3-yl]-3-fluoro-2,3-bis(trifluoromethyl)oxirane.
What is the SMILES notation for 2-[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(trifluoromethyl)pentan-3-yl]-3-fluoro-2,3-bis(trifluoromethyl)oxirane?
The canonical SMILES for 2-[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(trifluoromethyl)pentan-3-yl]-3-fluoro-2,3-bis(trifluoromethyl)oxirane is FC(F)(F)C(F)(F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C1(C(F)(F)F)OC1(F)C(F)(F)F.
What is the InChIKey of 2-[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(trifluoromethyl)pentan-3-yl]-3-fluoro-2,3-bis(trifluoromethyl)oxirane?
The InChIKey is DWONTKLOIUJQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F20O/c11-3(12,8(22,23)24)1(6(16,17)18,4(13,14)9(25,26)27)2(7(19,20)21)5(15,31-2)10(28,29)30.
What are the key properties of 2-[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(trifluoromethyl)pentan-3-yl]-3-fluoro-2,3-bis(trifluoromethyl)oxirane?
2-[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(trifluoromethyl)pentan-3-yl]-3-fluoro-2,3-bis(trifluoromethyl)oxirane has a molecular weight of 516.07 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,1,2,2,4,4,5,5,5-decafluoro-3-(trifluoromethyl)pentan-3-yl]-3-fluoro-2,3-bis(trifluoromethyl)oxirane is sourced from PubChem (CID 11092502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).