[2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl] 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropaneperoxoate

C12F24N2O4 — CID 15219193

IUPAC[2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl] 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropaneperoxoate
SMILESO=C(OOC(=O)C(F)(C(F)(F)F)C(F)(F)N(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F24N2O4/c13-3(5(15,16)17,7(21,22)37(9(25,26)27)10(28,29)30)1(39)41-42-2(40)4(14,6(18,19)20)8(23,24)38(11(31,32)33)12(34,35)36
InChIKeyRGIKFONGDLJXRK-UHFFFAOYSA-N
MW692.09 g/mol
LogP6.40
Rot. Bonds6

About [2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl] 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropaneperoxoate

[2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl] 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropaneperoxoate (PubChem CID 15219193) has the molecular formula C12F24N2O4 and a molecular weight of 692.09 g/mol. Its IUPAC name is [2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl] 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropaneperoxoate.

Molecular Properties

Compound Name[2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl] 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropaneperoxoate
PubChem CID15219193
Molecular FormulaC12F24N2O4
Molecular Weight692.09 g/mol
Exact Mass691.95
IUPAC Name[2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl] 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropaneperoxoate
SMILESO=C(OOC(=O)C(F)(C(F)(F)F)C(F)(F)N(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F24N2O4/c13-3(5(15,16)17,7(21,22)37(9(25,26)27)10(28,29)30)1(39)41-42-2(40)4(14,6(18,19)20)8(23,24)38(11(31,32)33)12(34,35)36
InChIKeyRGIKFONGDLJXRK-UHFFFAOYSA-N
XLogP6.40
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.09
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

potassium 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoate
CID 4271848
4-[bis(trifluoromethyl)amino]-2,2,3,3,4,4-hexafluorobutanoyl fluoride
CID 101034948
[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl] (2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propaneperoxoate
CID 129405214
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononaneperoxoate
CID 15687701
2,2,3,3,4-pentafluorobutanoyl 2,2,3,3,4-pentafluorobutaneperoxoate
CID 87611035
2-[difluoro-[1,1,2,2-tetrafluoroethyl-(1,1,2,2-tetrafluoro-2-methoxyethyl)amino]methyl]-2,3,3,3-tetrafluoropropanoic acid
CID 89342504
[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]acetyl] 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethaneperoxoate
CID 156700386
(2-chloro-2-fluoropropanoyl) 2-chloro-2-fluoropropaneperoxoate
CID 19690456
tert-butyl 2-amino-3,3,3-trifluoro-2-methylpropanoate;hydrochloride
CID 134690891
1,1,1,2,4,5,5,5-octafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,1,2,4,5,5,5-octafluoro-3-oxo-4-(trifluoromethyl)pentan-2-yl]oxybutoxy]-4-(trifluoromethyl)pentan-3-one
CID 88530414
zinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate)
CID 87694788
1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-2,3-dione
CID 12567521

Frequently Asked Questions

What is the IUPAC name of [2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl] 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropaneperoxoate?
The IUPAC name of [2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl] 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropaneperoxoate (CID 15219193) is [2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl] 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropaneperoxoate.
What is the SMILES notation for [2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl] 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropaneperoxoate?
The canonical SMILES for [2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl] 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropaneperoxoate is O=C(OOC(=O)C(F)(C(F)(F)F)C(F)(F)N(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)N(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl] 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropaneperoxoate?
The InChIKey is RGIKFONGDLJXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F24N2O4/c13-3(5(15,16)17,7(21,22)37(9(25,26)27)10(28,29)30)1(39)41-42-2(40)4(14,6(18,19)20)8(23,24)38(11(31,32)33)12(34,35)36.
What are the key properties of [2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl] 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropaneperoxoate?
[2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl] 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropaneperoxoate has a molecular weight of 692.09 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl] 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropaneperoxoate is sourced from PubChem (CID 15219193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).