N,1-dimethyl-3-(1,1,2,2-tetrafluoroethyl)aziridine-2-carboxamide

C7H10F4N2O — CID 15316139

IUPACN,1-dimethyl-3-(1,1,2,2-tetrafluoroethyl)aziridine-2-carboxamide
SMILESCNC(=O)C1C(C(F)(F)C(F)F)N1C
InChIInChI=1S/C7H10F4N2O/c1-12-5(14)3-4(13(3)2)7(10,11)6(8)9/h3-4,6H,1-2H3,(H,12,14)
InChIKeyJALLWRHMHHCSCL-UHFFFAOYSA-N
MW214.16 g/mol
LogP0.32
Rot. Bonds3

About N,1-dimethyl-3-(1,1,2,2-tetrafluoroethyl)aziridine-2-carboxamide

N,1-dimethyl-3-(1,1,2,2-tetrafluoroethyl)aziridine-2-carboxamide (PubChem CID 15316139) has the molecular formula C7H10F4N2O and a molecular weight of 214.16 g/mol. Its IUPAC name is N,1-dimethyl-3-(1,1,2,2-tetrafluoroethyl)aziridine-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-3-(1,1,2,2-tetrafluoroethyl)aziridine-2-carboxamide
PubChem CID15316139
Molecular FormulaC7H10F4N2O
Molecular Weight214.16 g/mol
Exact Mass214.07
IUPAC NameN,1-dimethyl-3-(1,1,2,2-tetrafluoroethyl)aziridine-2-carboxamide
SMILESCNC(=O)C1C(C(F)(F)C(F)F)N1C
InChIInChI=1S/C7H10F4N2O/c1-12-5(14)3-4(13(3)2)7(10,11)6(8)9/h3-4,6H,1-2H3,(H,12,14)
InChIKeyJALLWRHMHHCSCL-UHFFFAOYSA-N
XLogP0.32
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3-(1,1,2,2-tetrafluoroethyl)aziridine-2-carboxamide?
The IUPAC name of N,1-dimethyl-3-(1,1,2,2-tetrafluoroethyl)aziridine-2-carboxamide (CID 15316139) is N,1-dimethyl-3-(1,1,2,2-tetrafluoroethyl)aziridine-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-3-(1,1,2,2-tetrafluoroethyl)aziridine-2-carboxamide?
The canonical SMILES for N,1-dimethyl-3-(1,1,2,2-tetrafluoroethyl)aziridine-2-carboxamide is CNC(=O)C1C(C(F)(F)C(F)F)N1C.
What is the InChIKey of N,1-dimethyl-3-(1,1,2,2-tetrafluoroethyl)aziridine-2-carboxamide?
The InChIKey is JALLWRHMHHCSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4N2O/c1-12-5(14)3-4(13(3)2)7(10,11)6(8)9/h3-4,6H,1-2H3,(H,12,14).
What are the key properties of N,1-dimethyl-3-(1,1,2,2-tetrafluoroethyl)aziridine-2-carboxamide?
N,1-dimethyl-3-(1,1,2,2-tetrafluoroethyl)aziridine-2-carboxamide has a molecular weight of 214.16 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-(1,1,2,2-tetrafluoroethyl)aziridine-2-carboxamide is sourced from PubChem (CID 15316139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).