N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylazetidin-3-amine

C9H14F2N4 — CID 66184805

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylazetidin-3-amine
SMILESCN(Cc1nccn1C(F)F)C1CNC1
InChIInChI=1S/C9H14F2N4/c1-14(7-4-12-5-7)6-8-13-2-3-15(8)9(10)11/h2-3,7,9,12H,4-6H2,1H3
InChIKeyFPCMYRFMQPSXNG-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.68
Rot. Bonds4

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylazetidin-3-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylazetidin-3-amine (PubChem CID 66184805) has the molecular formula C9H14F2N4 and a molecular weight of 216.23 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylazetidin-3-amine
PubChem CID66184805
Molecular FormulaC9H14F2N4
Molecular Weight216.23 g/mol
Exact Mass216.12
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylazetidin-3-amine
SMILESCN(Cc1nccn1C(F)F)C1CNC1
InChIInChI=1S/C9H14F2N4/c1-14(7-4-12-5-7)6-8-13-2-3-15(8)9(10)11/h2-3,7,9,12H,4-6H2,1H3
InChIKeyFPCMYRFMQPSXNG-UHFFFAOYSA-N
XLogP0.68
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylazetidin-3-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylazetidin-3-amine (CID 66184805) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylazetidin-3-amine is CN(Cc1nccn1C(F)F)C1CNC1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylazetidin-3-amine?
The InChIKey is FPCMYRFMQPSXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4/c1-14(7-4-12-5-7)6-8-13-2-3-15(8)9(10)11/h2-3,7,9,12H,4-6H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylazetidin-3-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylazetidin-3-amine has a molecular weight of 216.23 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 66184805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).