(3-fluoroazetidin-3-yl)methanamine

C4H9FN2 — CID 118998287

IUPAC(3-fluoroazetidin-3-yl)methanamine
SMILESNCC1(F)CNC1
InChIInChI=1S/C4H9FN2/c5-4(1-6)2-7-3-4/h7H,1-3,6H2
InChIKeyVVTQBFXXUVPCHK-UHFFFAOYSA-N
MW104.13 g/mol
LogP-0.74
Rot. Bonds1

About (3-fluoroazetidin-3-yl)methanamine

(3-fluoroazetidin-3-yl)methanamine (PubChem CID 118998287) has the molecular formula C4H9FN2 and a molecular weight of 104.13 g/mol. Its IUPAC name is (3-fluoroazetidin-3-yl)methanamine.

Molecular Properties

Compound Name(3-fluoroazetidin-3-yl)methanamine
PubChem CID118998287
Molecular FormulaC4H9FN2
Molecular Weight104.13 g/mol
Exact Mass104.07
IUPAC Name(3-fluoroazetidin-3-yl)methanamine
SMILESNCC1(F)CNC1
InChIInChI=1S/C4H9FN2/c5-4(1-6)2-7-3-4/h7H,1-3,6H2
InChIKeyVVTQBFXXUVPCHK-UHFFFAOYSA-N
XLogP-0.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-3-yl)methanamine?
The IUPAC name of (3-fluoroazetidin-3-yl)methanamine (CID 118998287) is (3-fluoroazetidin-3-yl)methanamine.
What is the SMILES notation for (3-fluoroazetidin-3-yl)methanamine?
The canonical SMILES for (3-fluoroazetidin-3-yl)methanamine is NCC1(F)CNC1.
What is the InChIKey of (3-fluoroazetidin-3-yl)methanamine?
The InChIKey is VVTQBFXXUVPCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN2/c5-4(1-6)2-7-3-4/h7H,1-3,6H2.
What are the key properties of (3-fluoroazetidin-3-yl)methanamine?
(3-fluoroazetidin-3-yl)methanamine has a molecular weight of 104.13 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-3-yl)methanamine is sourced from PubChem (CID 118998287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).