2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(1,1,2,2,2-pentafluoroethyl)oxirane

C7F14O — CID 88593540

IUPAC2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(1,1,2,2,2-pentafluoroethyl)oxirane
SMILESFC(F)(F)C(F)(F)C(F)(F)C1(F)OC1(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7F14O/c8-1(9,2(10,11)6(16,17)18)4(14)5(15,22-4)3(12,13)7(19,20)21
InChIKeyLFUODFBQLVQAOS-UHFFFAOYSA-N
MW366.05 g/mol
LogP4.38
Rot. Bonds3

About 2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(1,1,2,2,2-pentafluoroethyl)oxirane

2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(1,1,2,2,2-pentafluoroethyl)oxirane (PubChem CID 88593540) has the molecular formula C7F14O and a molecular weight of 366.05 g/mol. Its IUPAC name is 2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(1,1,2,2,2-pentafluoroethyl)oxirane.

Molecular Properties

Compound Name2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(1,1,2,2,2-pentafluoroethyl)oxirane
PubChem CID88593540
Molecular FormulaC7F14O
Molecular Weight366.05 g/mol
Exact Mass365.97
IUPAC Name2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(1,1,2,2,2-pentafluoroethyl)oxirane
SMILESFC(F)(F)C(F)(F)C(F)(F)C1(F)OC1(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7F14O/c8-1(9,2(10,11)6(16,17)18)4(14)5(15,22-4)3(12,13)7(19,20)21
InChIKeyLFUODFBQLVQAOS-UHFFFAOYSA-N
XLogP4.38
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

2,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane
CID 12520925
(5S)-2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
CID 95054915
4,5-dichloro-4,5-difluoro-2,2-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane
CID 172847592
2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,2-pentafluoroethyl)oxane
CID 12596606
(3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxolane
CID 175884602
2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2,3,3-trifluorooxirane
CID 86219176
(2S)-2-(6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexyl)-2,3,3-trifluorooxirane
CID 98114912
4,4,5-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one
CID 89287073
2-[3-[1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(2,3,3-trifluorooxiran-2-yl)undecan-3-yl]oxy-1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoroundecan-3-yl]-2,3,3-trifluorooxirane
CID 139957716
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
2,3-difluoro-3-(1,1,2,2,3,3,4,4,5,5,6-undecafluorohexyl)oxiran-2-ol
CID 171060417
2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine
CID 14172428

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(1,1,2,2,2-pentafluoroethyl)oxirane?
The IUPAC name of 2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(1,1,2,2,2-pentafluoroethyl)oxirane (CID 88593540) is 2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(1,1,2,2,2-pentafluoroethyl)oxirane.
What is the SMILES notation for 2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(1,1,2,2,2-pentafluoroethyl)oxirane?
The canonical SMILES for 2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(1,1,2,2,2-pentafluoroethyl)oxirane is FC(F)(F)C(F)(F)C(F)(F)C1(F)OC1(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(1,1,2,2,2-pentafluoroethyl)oxirane?
The InChIKey is LFUODFBQLVQAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F14O/c8-1(9,2(10,11)6(16,17)18)4(14)5(15,22-4)3(12,13)7(19,20)21.
What are the key properties of 2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(1,1,2,2,2-pentafluoroethyl)oxirane?
2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(1,1,2,2,2-pentafluoroethyl)oxirane has a molecular weight of 366.05 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(1,1,2,2,2-pentafluoroethyl)oxirane is sourced from PubChem (CID 88593540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).