3-(3-ethyl-3-methylazetidin-1-yl)-2,2-difluoro-N-methylpropan-1-amine

C10H20F2N2 — CID 165462139

IUPAC3-(3-ethyl-3-methylazetidin-1-yl)-2,2-difluoro-N-methylpropan-1-amine
SMILESCCC1(C)CN(CC(F)(F)CNC)C1
InChIInChI=1S/C10H20F2N2/c1-4-9(2)6-14(7-9)8-10(11,12)5-13-3/h13H,4-8H2,1-3H3
InChIKeyUIGZZKCAEKACID-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.57
Rot. Bonds5

About 3-(3-ethyl-3-methylazetidin-1-yl)-2,2-difluoro-N-methylpropan-1-amine

3-(3-ethyl-3-methylazetidin-1-yl)-2,2-difluoro-N-methylpropan-1-amine (PubChem CID 165462139) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-(3-ethyl-3-methylazetidin-1-yl)-2,2-difluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-ethyl-3-methylazetidin-1-yl)-2,2-difluoro-N-methylpropan-1-amine
PubChem CID165462139
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name3-(3-ethyl-3-methylazetidin-1-yl)-2,2-difluoro-N-methylpropan-1-amine
SMILESCCC1(C)CN(CC(F)(F)CNC)C1
InChIInChI=1S/C10H20F2N2/c1-4-9(2)6-14(7-9)8-10(11,12)5-13-3/h13H,4-8H2,1-3H3
InChIKeyUIGZZKCAEKACID-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-3-methylazetidin-1-yl)-2,2-difluoro-N-methylpropan-1-amine?
The IUPAC name of 3-(3-ethyl-3-methylazetidin-1-yl)-2,2-difluoro-N-methylpropan-1-amine (CID 165462139) is 3-(3-ethyl-3-methylazetidin-1-yl)-2,2-difluoro-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3-ethyl-3-methylazetidin-1-yl)-2,2-difluoro-N-methylpropan-1-amine?
The canonical SMILES for 3-(3-ethyl-3-methylazetidin-1-yl)-2,2-difluoro-N-methylpropan-1-amine is CCC1(C)CN(CC(F)(F)CNC)C1.
What is the InChIKey of 3-(3-ethyl-3-methylazetidin-1-yl)-2,2-difluoro-N-methylpropan-1-amine?
The InChIKey is UIGZZKCAEKACID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-4-9(2)6-14(7-9)8-10(11,12)5-13-3/h13H,4-8H2,1-3H3.
What are the key properties of 3-(3-ethyl-3-methylazetidin-1-yl)-2,2-difluoro-N-methylpropan-1-amine?
3-(3-ethyl-3-methylazetidin-1-yl)-2,2-difluoro-N-methylpropan-1-amine has a molecular weight of 206.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-3-methylazetidin-1-yl)-2,2-difluoro-N-methylpropan-1-amine is sourced from PubChem (CID 165462139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).