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

C13F23NO2 — CID 170852223

IUPAC2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,2,2-trifluoroethenoxy)hexanenitrile;1,1,2,2-tetrafluoroethene;1,1,2-trifluoro-2-(trifluoromethoxy)ethene
SMILESFC(F)=C(F)F.FC(F)=C(F)OC(F)(F)F.N#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C8F13NO.C3F6O.C2F4/c9-2(10)3(11)23-8(20,21)7(18,19)6(16,17)5(14,15)4(12,13)1-22;4-1(5)2(6)10-3(7,8)9;3-1(4)2(5)6
InChIKeyXTIPJYGFSJHBOH-UHFFFAOYSA-N
MW639.10 g/mol
LogP9.24
Rot. Bonds7

About 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

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 (PubChem CID 170852223) has the molecular formula C13F23NO2 and a molecular weight of 639.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,2,2-trifluoroethenoxy)hexanenitrile;1,1,2,2-tetrafluoroethene;1,1,2-trifluoro-2-(trifluoromethoxy)ethene
PubChem CID170852223
Molecular FormulaC13F23NO2
Molecular Weight639.10 g/mol
Exact Mass638.96
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,2,2-trifluoroethenoxy)hexanenitrile;1,1,2,2-tetrafluoroethene;1,1,2-trifluoro-2-(trifluoromethoxy)ethene
SMILESFC(F)=C(F)F.FC(F)=C(F)OC(F)(F)F.N#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C8F13NO.C3F6O.C2F4/c9-2(10)3(11)23-8(20,21)7(18,19)6(16,17)5(14,15)4(12,13)1-22;4-1(5)2(6)10-3(7,8)9;3-1(4)2(5)6
InChIKeyXTIPJYGFSJHBOH-UHFFFAOYSA-N
XLogP9.24
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.10
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
1,1,2,2,3,3,4,4-octafluoro-1-(1,2,2-trifluoroethenoxy)pentane
CID 88551399
2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,2,2-trifluoroethenoxy)hexanoyl fluoride
CID 100950644
2,2,3,3-tetrafluoro-3-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]propanenitrile
CID 175767556
8-(7-cyano-1,2,3,3,4,4,5,5,6,6,7,7-dodecafluorohept-1-enoxy)-2,2,3,3,4,4,5,5,6,6,7,8-dodecafluorooct-7-enenitrile
CID 173310680
1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane-1-sulfonyl fluoride
CID 175997144
1,1,2,3,3,4,4,5,5-nonafluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene
CID 14496010
1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoro-2-iodoethoxy)-4-(1,2,2-trifluoroethenoxy)butane
CID 175689779
methyl 2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,2,2-trifluoroethenoxy)hexanoate
CID 11058590
1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane
CID 88901327
1,2-difluoro-1,2-bis(trifluoromethoxy)ethene
CID 86055919

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)=C(F)F.FC(F)=C(F)OC(F)(F)F.N#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F.
What is the InChIKey of 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?
The InChIKey is XTIPJYGFSJHBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F13NO.C3F6O.C2F4/c9-2(10)3(11)23-8(20,21)7(18,19)6(16,17)5(14,15)4(12,13)1-22;4-1(5)2(6)10-3(7,8)9;3-1(4)2(5)6.
What are the key properties of 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?
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 has a molecular weight of 639.10 g/mol, XLogP of 9.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170852223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).