2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,3-bis(trifluoromethyl)oxirane

C7F14O — CID 155670092

IUPAC2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C(F)(F)C(F)(F)C1(F)OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F14O/c8-2(9,3(10,11)7(19,20)21)4(12)1(22-4,5(13,14)15)6(16,17)18
InChIKeyQKJUPUBYVWARAY-UHFFFAOYSA-N
MW366.05 g/mol
LogP4.38
Rot. Bonds2

About 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,3-bis(trifluoromethyl)oxirane

2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,3-bis(trifluoromethyl)oxirane (PubChem CID 155670092) has the molecular formula C7F14O and a molecular weight of 366.05 g/mol. Its IUPAC name is 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,3-bis(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,3-bis(trifluoromethyl)oxirane
PubChem CID155670092
Molecular FormulaC7F14O
Molecular Weight366.05 g/mol
Exact Mass365.97
IUPAC Name2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C(F)(F)C(F)(F)C1(F)OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F14O/c8-2(9,3(10,11)7(19,20)21)4(12)1(22-4,5(13,14)15)6(16,17)18
InChIKeyQKJUPUBYVWARAY-UHFFFAOYSA-N
XLogP4.38
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.05
LogP ≤ 54.38
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

3,4-Epoxyperfluoro-2,4-dimethylheptane
CID 13331366
2-Fluoro-2-(pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane
CID 11449895
2,3-Difluoro-2-(1,2,2,2-tetrafluoro-1-trifluoromethyl-ethyl)-3-trifluoromethyl-oxirane
CID 12520930
Perfluorobutylmethyloxirane
CID 129770857
Perfluoropropylmethyloxirane
CID 129770701
(2R)-2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane
CID 98115027
2,3-Bis(trifluoromethyl)-2,3-bis(pentafluoroethyl)oxirane
CID 13172582
2,2,3-Trifluoro-3-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]oxirane
CID 20131631
2-Fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,3-bis(trifluoromethyl)oxirane
CID 87423130
2-(1,1,1,2,3,3,4,4,4-Nonafluorobutan-2-yl)-2,3,3-tris(trifluoromethyl)oxirane
CID 88593677
2-[1,1,1,3,3,4,4,5,5,6,6,6-Dodecafluoro-2-(trifluoromethyl)hexan-2-yl]oxy-1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane
CID 141276713
Perfluoro-2-methyl-2,3-di(propan-2-yl)oxirane
CID 165360433

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,3-bis(trifluoromethyl)oxirane?
The IUPAC name of 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,3-bis(trifluoromethyl)oxirane (CID 155670092) is 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,3-bis(trifluoromethyl)oxirane.
What is the SMILES notation for 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,3-bis(trifluoromethyl)oxirane?
The canonical SMILES for 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,3-bis(trifluoromethyl)oxirane is FC(F)(F)C(F)(F)C(F)(F)C1(F)OC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,3-bis(trifluoromethyl)oxirane?
The InChIKey is QKJUPUBYVWARAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F14O/c8-2(9,3(10,11)7(19,20)21)4(12)1(22-4,5(13,14)15)6(16,17)18.
What are the key properties of 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,3-bis(trifluoromethyl)oxirane?
2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,3-bis(trifluoromethyl)oxirane has a molecular weight of 366.05 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,3-bis(trifluoromethyl)oxirane is sourced from PubChem (CID 155670092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).