N-methyl-3-(trifluoromethyl)azetidine-1-carboxamide

C6H9F3N2O — CID 175983808

IUPACN-methyl-3-(trifluoromethyl)azetidine-1-carboxamide
SMILESCNC(=O)N1CC(C(F)(F)F)C1
InChIInChI=1S/C6H9F3N2O/c1-10-5(12)11-2-4(3-11)6(7,8)9/h4H,2-3H2,1H3,(H,10,12)
InChIKeyQSQIFNRRMUIZNT-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.82
Rot. Bonds

About N-methyl-3-(trifluoromethyl)azetidine-1-carboxamide

N-methyl-3-(trifluoromethyl)azetidine-1-carboxamide (PubChem CID 175983808) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethyl)azetidine-1-carboxamide
PubChem CID175983808
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC NameN-methyl-3-(trifluoromethyl)azetidine-1-carboxamide
SMILESCNC(=O)N1CC(C(F)(F)F)C1
InChIInChI=1S/C6H9F3N2O/c1-10-5(12)11-2-4(3-11)6(7,8)9/h4H,2-3H2,1H3,(H,10,12)
InChIKeyQSQIFNRRMUIZNT-UHFFFAOYSA-N
XLogP0.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(trifluoromethyl)azetidine-1-carboxamide?
The IUPAC name of N-methyl-3-(trifluoromethyl)azetidine-1-carboxamide (CID 175983808) is N-methyl-3-(trifluoromethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-methyl-3-(trifluoromethyl)azetidine-1-carboxamide?
The canonical SMILES for N-methyl-3-(trifluoromethyl)azetidine-1-carboxamide is CNC(=O)N1CC(C(F)(F)F)C1.
What is the InChIKey of N-methyl-3-(trifluoromethyl)azetidine-1-carboxamide?
The InChIKey is QSQIFNRRMUIZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c1-10-5(12)11-2-4(3-11)6(7,8)9/h4H,2-3H2,1H3,(H,10,12).
What are the key properties of N-methyl-3-(trifluoromethyl)azetidine-1-carboxamide?
N-methyl-3-(trifluoromethyl)azetidine-1-carboxamide has a molecular weight of 182.14 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethyl)azetidine-1-carboxamide is sourced from PubChem (CID 175983808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).