2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane

C9F18O — CID 4282356

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C(F)(F)C1(C(F)(C(F)(F)F)C(F)(F)F)OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F18O/c10-1(5(13,14)15,6(16,17)18)2(4(11,12)9(25,26)27)3(28-2,7(19,20)21)8(22,23)24
InChIKeyOZQNQQRUDNMYNL-UHFFFAOYSA-N
MW466.06 g/mol
LogP5.65
Rot. Bonds2

About 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane (PubChem CID 4282356) has the molecular formula C9F18O and a molecular weight of 466.06 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane
PubChem CID4282356
Molecular FormulaC9F18O
Molecular Weight466.06 g/mol
Exact Mass465.97
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C(F)(F)C1(C(F)(C(F)(F)F)C(F)(F)F)OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F18O/c10-1(5(13,14)15,6(16,17)18)2(4(11,12)9(25,26)27)3(28-2,7(19,20)21)8(22,23)24
InChIKeyOZQNQQRUDNMYNL-UHFFFAOYSA-N
XLogP5.65
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.06
LogP ≤ 55.65
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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Related Compounds

2,3-Epoxyperfluoro-3-isopropyl-4-methylpentane
CID 10950707
2-Fluoro-2-(pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane
CID 11449895
(2R)-2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane
CID 98115027
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
2-Fluoro-3-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane
CID 13033399
2,3-Bis(trifluoromethyl)-2,3-bis(pentafluoroethyl)oxirane
CID 13172582
1,1,1,2,3,4,5,5,5-Nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethoxy)-4-(trifluoromethyl)pentane
CID 15124855
2,2-Difluoro-3,3-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxirane
CID 19887923
2-(1,1,1,2,3,3,4,4,4-Nonafluorobutan-2-yl)-2,3,3-tris(trifluoromethyl)oxirane
CID 88593677
1,1,1,2,2,3,3,5,5,6,6,6-Dodecafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-4-(trifluoromethyl)hexane
CID 88672146
Perfluoro-2-methyl-2,3-di(propan-2-yl)oxirane
CID 165360433
2-[1,1,2,3,3,3-Hexafluoro-2-(trifluoromethyl)propyl]-2,3,3-tris(trifluoromethyl)oxirane
CID 177700910

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane (CID 4282356) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane is FC(F)(F)C(F)(F)C1(C(F)(C(F)(F)F)C(F)(F)F)OC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane?
The InChIKey is OZQNQQRUDNMYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F18O/c10-1(5(13,14)15,6(16,17)18)2(4(11,12)9(25,26)27)3(28-2,7(19,20)21)8(22,23)24.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane has a molecular weight of 466.06 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane is sourced from PubChem (CID 4282356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).