2-[3-(fluoromethyl)azetidin-3-yl]-N-methylethanamine

C7H15FN2 — CID 156740759

IUPAC2-[3-(fluoromethyl)azetidin-3-yl]-N-methylethanamine
SMILESCNCCC1(CF)CNC1
InChIInChI=1S/C7H15FN2/c1-9-3-2-7(4-8)5-10-6-7/h9-10H,2-6H2,1H3
InChIKeyBJOCEBKDQQNWHO-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.16
Rot. Bonds4

About 2-[3-(fluoromethyl)azetidin-3-yl]-N-methylethanamine

2-[3-(fluoromethyl)azetidin-3-yl]-N-methylethanamine (PubChem CID 156740759) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)azetidin-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(fluoromethyl)azetidin-3-yl]-N-methylethanamine
PubChem CID156740759
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name2-[3-(fluoromethyl)azetidin-3-yl]-N-methylethanamine
SMILESCNCCC1(CF)CNC1
InChIInChI=1S/C7H15FN2/c1-9-3-2-7(4-8)5-10-6-7/h9-10H,2-6H2,1H3
InChIKeyBJOCEBKDQQNWHO-UHFFFAOYSA-N
XLogP0.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)azetidin-3-yl]-N-methylethanamine?
The IUPAC name of 2-[3-(fluoromethyl)azetidin-3-yl]-N-methylethanamine (CID 156740759) is 2-[3-(fluoromethyl)azetidin-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[3-(fluoromethyl)azetidin-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[3-(fluoromethyl)azetidin-3-yl]-N-methylethanamine is CNCCC1(CF)CNC1.
What is the InChIKey of 2-[3-(fluoromethyl)azetidin-3-yl]-N-methylethanamine?
The InChIKey is BJOCEBKDQQNWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-9-3-2-7(4-8)5-10-6-7/h9-10H,2-6H2,1H3.
What are the key properties of 2-[3-(fluoromethyl)azetidin-3-yl]-N-methylethanamine?
2-[3-(fluoromethyl)azetidin-3-yl]-N-methylethanamine has a molecular weight of 146.21 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)azetidin-3-yl]-N-methylethanamine is sourced from PubChem (CID 156740759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).