2-(azetidin-3-ylidene)-2-fluoro-N-methylethanamine

C6H11FN2 — CID 89066221

IUPAC2-(azetidin-3-ylidene)-2-fluoro-N-methylethanamine
SMILESCNCC(F)=C1CNC1
InChIInChI=1S/C6H11FN2/c1-8-4-6(7)5-2-9-3-5/h8-9H,2-4H2,1H3
InChIKeyKQCJBKPFBSEEML-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.03
Rot. Bonds2

About 2-(azetidin-3-ylidene)-2-fluoro-N-methylethanamine

2-(azetidin-3-ylidene)-2-fluoro-N-methylethanamine (PubChem CID 89066221) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-2-fluoro-N-methylethanamine.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-2-fluoro-N-methylethanamine
PubChem CID89066221
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name2-(azetidin-3-ylidene)-2-fluoro-N-methylethanamine
SMILESCNCC(F)=C1CNC1
InChIInChI=1S/C6H11FN2/c1-8-4-6(7)5-2-9-3-5/h8-9H,2-4H2,1H3
InChIKeyKQCJBKPFBSEEML-UHFFFAOYSA-N
XLogP0.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-2-fluoro-N-methylethanamine?
The IUPAC name of 2-(azetidin-3-ylidene)-2-fluoro-N-methylethanamine (CID 89066221) is 2-(azetidin-3-ylidene)-2-fluoro-N-methylethanamine.
What is the SMILES notation for 2-(azetidin-3-ylidene)-2-fluoro-N-methylethanamine?
The canonical SMILES for 2-(azetidin-3-ylidene)-2-fluoro-N-methylethanamine is CNCC(F)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-2-fluoro-N-methylethanamine?
The InChIKey is KQCJBKPFBSEEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2/c1-8-4-6(7)5-2-9-3-5/h8-9H,2-4H2,1H3.
What are the key properties of 2-(azetidin-3-ylidene)-2-fluoro-N-methylethanamine?
2-(azetidin-3-ylidene)-2-fluoro-N-methylethanamine has a molecular weight of 130.17 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-2-fluoro-N-methylethanamine is sourced from PubChem (CID 89066221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).