N-methyl-3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide

C7H11F3N2O — CID 126988272

IUPACN-methyl-3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
SMILESCNC(=O)N1CC(CC(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O/c1-11-6(13)12-3-5(4-12)2-7(8,9)10/h5H,2-4H2,1H3,(H,11,13)
InChIKeyDENONWMJEXPLSF-UHFFFAOYSA-N
MW196.17 g/mol
LogP1.21
Rot. Bonds1

About N-methyl-3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide

N-methyl-3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide (PubChem CID 126988272) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is N-methyl-3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
PubChem CID126988272
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC NameN-methyl-3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
SMILESCNC(=O)N1CC(CC(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O/c1-11-6(13)12-3-5(4-12)2-7(8,9)10/h5H,2-4H2,1H3,(H,11,13)
InChIKeyDENONWMJEXPLSF-UHFFFAOYSA-N
XLogP1.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
The IUPAC name of N-methyl-3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide (CID 126988272) is N-methyl-3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-methyl-3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
The canonical SMILES for N-methyl-3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide is CNC(=O)N1CC(CC(F)(F)F)C1.
What is the InChIKey of N-methyl-3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
The InChIKey is DENONWMJEXPLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-11-6(13)12-3-5(4-12)2-7(8,9)10/h5H,2-4H2,1H3,(H,11,13).
What are the key properties of N-methyl-3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
N-methyl-3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide has a molecular weight of 196.17 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide is sourced from PubChem (CID 126988272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).