N-(1-methylazetidin-3-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide

C9H13F3N2O — CID 162614970

IUPACN-(1-methylazetidin-3-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCN1CC(NC(=O)C2(C(F)(F)F)CC2)C1
InChIInChI=1S/C9H13F3N2O/c1-14-4-6(5-14)13-7(15)8(2-3-8)9(10,11)12/h6H,2-5H2,1H3,(H,13,15)
InChIKeyQSBUKLOSXACMEM-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.76
Rot. Bonds2

About N-(1-methylazetidin-3-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-(1-methylazetidin-3-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 162614970) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is N-(1-methylazetidin-3-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylazetidin-3-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID162614970
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC NameN-(1-methylazetidin-3-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCN1CC(NC(=O)C2(C(F)(F)F)CC2)C1
InChIInChI=1S/C9H13F3N2O/c1-14-4-6(5-14)13-7(15)8(2-3-8)9(10,11)12/h6H,2-5H2,1H3,(H,13,15)
InChIKeyQSBUKLOSXACMEM-UHFFFAOYSA-N
XLogP0.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylazetidin-3-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1-methylazetidin-3-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 162614970) is N-(1-methylazetidin-3-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-methylazetidin-3-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-methylazetidin-3-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide is CN1CC(NC(=O)C2(C(F)(F)F)CC2)C1.
What is the InChIKey of N-(1-methylazetidin-3-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is QSBUKLOSXACMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-14-4-6(5-14)13-7(15)8(2-3-8)9(10,11)12/h6H,2-5H2,1H3,(H,13,15).
What are the key properties of N-(1-methylazetidin-3-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-(1-methylazetidin-3-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 222.21 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylazetidin-3-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 162614970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).