2,2-difluoro-2-(1-methylazetidin-3-yl)ethanamine

C6H12F2N2 — CID 105429444

IUPAC2,2-difluoro-2-(1-methylazetidin-3-yl)ethanamine
SMILESCN1CC(C(F)(F)CN)C1
InChIInChI=1S/C6H12F2N2/c1-10-2-5(3-10)6(7,8)4-9/h5H,2-4,9H2,1H3
InChIKeyMTILWDBIDPZDDJ-UHFFFAOYSA-N
MW150.17 g/mol
LogP0.14
Rot. Bonds2

About 2,2-difluoro-2-(1-methylazetidin-3-yl)ethanamine

2,2-difluoro-2-(1-methylazetidin-3-yl)ethanamine (PubChem CID 105429444) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-methylazetidin-3-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(1-methylazetidin-3-yl)ethanamine
PubChem CID105429444
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name2,2-difluoro-2-(1-methylazetidin-3-yl)ethanamine
SMILESCN1CC(C(F)(F)CN)C1
InChIInChI=1S/C6H12F2N2/c1-10-2-5(3-10)6(7,8)4-9/h5H,2-4,9H2,1H3
InChIKeyMTILWDBIDPZDDJ-UHFFFAOYSA-N
XLogP0.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-methylazetidin-3-yl)ethanamine?
The IUPAC name of 2,2-difluoro-2-(1-methylazetidin-3-yl)ethanamine (CID 105429444) is 2,2-difluoro-2-(1-methylazetidin-3-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-(1-methylazetidin-3-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-(1-methylazetidin-3-yl)ethanamine is CN1CC(C(F)(F)CN)C1.
What is the InChIKey of 2,2-difluoro-2-(1-methylazetidin-3-yl)ethanamine?
The InChIKey is MTILWDBIDPZDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2/c1-10-2-5(3-10)6(7,8)4-9/h5H,2-4,9H2,1H3.
What are the key properties of 2,2-difluoro-2-(1-methylazetidin-3-yl)ethanamine?
2,2-difluoro-2-(1-methylazetidin-3-yl)ethanamine has a molecular weight of 150.17 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-methylazetidin-3-yl)ethanamine is sourced from PubChem (CID 105429444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).