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

C6H9F3N2O — CID 15316136

IUPACN,1-dimethyl-3-(trifluoromethyl)aziridine-2-carboxamide
SMILESCNC(=O)C1C(C(F)(F)F)N1C
InChIInChI=1S/C6H9F3N2O/c1-10-5(12)3-4(11(3)2)6(7,8)9/h3-4H,1-2H3,(H,10,12)
InChIKeyZKQUYKQUJSNEPN-UHFFFAOYSA-N
MW182.14 g/mol
LogP-0.02
Rot. Bonds1

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

N,1-dimethyl-3-(trifluoromethyl)aziridine-2-carboxamide (PubChem CID 15316136) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is N,1-dimethyl-3-(trifluoromethyl)aziridine-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-3-(trifluoromethyl)aziridine-2-carboxamide
PubChem CID15316136
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC NameN,1-dimethyl-3-(trifluoromethyl)aziridine-2-carboxamide
SMILESCNC(=O)C1C(C(F)(F)F)N1C
InChIInChI=1S/C6H9F3N2O/c1-10-5(12)3-4(11(3)2)6(7,8)9/h3-4H,1-2H3,(H,10,12)
InChIKeyZKQUYKQUJSNEPN-UHFFFAOYSA-N
XLogP-0.02
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 15864840
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CID 60997472
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CID 90238663
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CID 78673849
CID 78673849
CID 15316137
CID 15316137
CID 15316139
CID 15316139
CID 43089178
CID 43089178
CID 54871535
CID 54871535
CID 54872078
CID 54872078
CID 55142776
CID 55142776
CID 55144695
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CID 55145081
CID 55145081

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3-(trifluoromethyl)aziridine-2-carboxamide?
The IUPAC name of N,1-dimethyl-3-(trifluoromethyl)aziridine-2-carboxamide (CID 15316136) is N,1-dimethyl-3-(trifluoromethyl)aziridine-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-3-(trifluoromethyl)aziridine-2-carboxamide?
The canonical SMILES for N,1-dimethyl-3-(trifluoromethyl)aziridine-2-carboxamide is CNC(=O)C1C(C(F)(F)F)N1C.
What is the InChIKey of N,1-dimethyl-3-(trifluoromethyl)aziridine-2-carboxamide?
The InChIKey is ZKQUYKQUJSNEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c1-10-5(12)3-4(11(3)2)6(7,8)9/h3-4H,1-2H3,(H,10,12).
What are the key properties of N,1-dimethyl-3-(trifluoromethyl)aziridine-2-carboxamide?
N,1-dimethyl-3-(trifluoromethyl)aziridine-2-carboxamide has a molecular weight of 182.14 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-(trifluoromethyl)aziridine-2-carboxamide is sourced from PubChem (CID 15316136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).