2,2,3,3-tetrafluoro-3-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]propanenitrile

C7F11NO2 — CID 175767556

IUPAC2,2,3,3-tetrafluoro-3-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]propanenitrile
SMILESN#CC(F)(F)C(F)(F)OC(F)(OC(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C7F11NO2/c8-2(9)3(10)20-7(18,5(13,14)15)21-6(16,17)4(11,12)1-19
InChIKeyACESPMKQYYVCOY-UHFFFAOYSA-N
MW339.06 g/mol
LogP3.99
Rot. Bonds5

About 2,2,3,3-tetrafluoro-3-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]propanenitrile

2,2,3,3-tetrafluoro-3-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]propanenitrile (PubChem CID 175767556) has the molecular formula C7F11NO2 and a molecular weight of 339.06 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-3-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]propanenitrile.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-3-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]propanenitrile
PubChem CID175767556
Molecular FormulaC7F11NO2
Molecular Weight339.06 g/mol
Exact Mass338.98
IUPAC Name2,2,3,3-tetrafluoro-3-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]propanenitrile
SMILESN#CC(F)(F)C(F)(F)OC(F)(OC(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C7F11NO2/c8-2(9)3(10)20-7(18,5(13,14)15)21-6(16,17)4(11,12)1-19
InChIKeyACESPMKQYYVCOY-UHFFFAOYSA-N
XLogP3.99
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.06
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,2,2-trifluoroethenoxy)hexanenitrile;1,1,2,2-tetrafluoroethene;1,1,2-trifluoro-2-(trifluoromethoxy)ethene
CID 170852223
1-[[[[[[difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene
CID 175843113
1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane
CID 175694142
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluoro-31-(1,2,2-trifluoroethenoxy)hentriacontane
CID 175893093
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane
CID 19837350
1-[2-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane
CID 175691538
1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene
CID 71405026
1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-3-(1,2,2-trifluoroethenoxy)propane
CID 11730669
carbononitridic bromide;2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-1-ol;[2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropyl] cyanate
CID 160630973
2-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
CID 121433205
1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]prop-1-ene
CID 175690413
1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane
CID 88901327

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-3-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]propanenitrile?
The IUPAC name of 2,2,3,3-tetrafluoro-3-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]propanenitrile (CID 175767556) is 2,2,3,3-tetrafluoro-3-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]propanenitrile.
What is the SMILES notation for 2,2,3,3-tetrafluoro-3-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]propanenitrile?
The canonical SMILES for 2,2,3,3-tetrafluoro-3-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]propanenitrile is N#CC(F)(F)C(F)(F)OC(F)(OC(F)=C(F)F)C(F)(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-3-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]propanenitrile?
The InChIKey is ACESPMKQYYVCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F11NO2/c8-2(9)3(10)20-7(18,5(13,14)15)21-6(16,17)4(11,12)1-19.
What are the key properties of 2,2,3,3-tetrafluoro-3-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]propanenitrile?
2,2,3,3-tetrafluoro-3-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]propanenitrile has a molecular weight of 339.06 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-3-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]propanenitrile is sourced from PubChem (CID 175767556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).