N-[2-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide

C11H5F15N2O3 — CID 91726862

IUPACN-[2-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(NCCN(C(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5F15N2O3/c12-6(13,9(18,19)20)3(29)27-1-2-28(4(30)7(14,15)10(21,22)23)5(31)8(16,17)11(24,25)26/h1-2H2,(H,27,29)
InChIKeyCBTPAJWDIKMAGA-UHFFFAOYSA-N
MW498.14 g/mol
LogP3.05
Rot. Bonds6

About N-[2-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide

N-[2-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide (PubChem CID 91726862) has the molecular formula C11H5F15N2O3 and a molecular weight of 498.14 g/mol. Its IUPAC name is N-[2-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-[2-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide
PubChem CID91726862
Molecular FormulaC11H5F15N2O3
Molecular Weight498.14 g/mol
Exact Mass498.01
IUPAC NameN-[2-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(NCCN(C(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5F15N2O3/c12-6(13,9(18,19)20)3(29)27-1-2-28(4(30)7(14,15)10(21,22)23)5(31)8(16,17)11(24,25)26/h1-2H2,(H,27,29)
InChIKeyCBTPAJWDIKMAGA-UHFFFAOYSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.14
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3-Tetrafluoro-N-[3-(2,2,3,3-tetrafluoro-propionylamino)-propyl]-propionamide
CID 648167
2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl]butanamide
CID 350051
N,N'-bis(Perfluoropentanoyl)1,2-ethanediamine
CID 4148151
2,2,2-trifluoro-N-{2-[(trifluoroacetyl)amino]ethyl}acetamide
CID 229756
1,2-Diaminoethane, N,N'-bis(pentafluoropropionyl)
CID 600476
N,N',N''-(2,2',2''-Nitrilotriethyl)tris(2,2,2-trifluoroacetamide)
CID 3640837
N1,N3-bis(2-(2,2,2-trifluoroacetamido)ethyl)-propane-1,3-diaminium trifluoroacetate
CID 46899573
2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 388778
1,4,8-Tris(trifluoroacetyl)-1,4,8,11-tetraazacyclotetradecane
CID 11431771
N-Acetyl-2,2,2-trifluoro-N-[4-(2,2,2-trifluoroacetamido)butyl]acetamide
CID 91691838
2,2,3,3,3-pentafluoro-N-[2-(2,2,2-trifluoro-1-trifluoromethylethylamino)ethyl]-propanamide
CID 129756976
N-(2-(dimethylamino)-ethyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 163196984

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-[2-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide (CID 91726862) is N-[2-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-[2-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-[2-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide is O=C(NCCN(C(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[2-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is CBTPAJWDIKMAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F15N2O3/c12-6(13,9(18,19)20)3(29)27-1-2-28(4(30)7(14,15)10(21,22)23)5(31)8(16,17)11(24,25)26/h1-2H2,(H,27,29).
What are the key properties of N-[2-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide?
N-[2-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 498.14 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 91726862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).