(3-fluoroazetidin-3-yl)methanamine;hydrochloride

C4H10ClFN2 — CID 118998286

IUPAC(3-fluoroazetidin-3-yl)methanamine;hydrochloride
SMILESCl.NCC1(F)CNC1
InChIInChI=1S/C4H9FN2.ClH/c5-4(1-6)2-7-3-4;/h7H,1-3,6H2;1H
InChIKeyLYQFRLCMMICFHH-UHFFFAOYSA-N
MW140.59 g/mol
LogP-0.32
Rot. Bonds1

About (3-fluoroazetidin-3-yl)methanamine;hydrochloride

(3-fluoroazetidin-3-yl)methanamine;hydrochloride (PubChem CID 118998286) has the molecular formula C4H10ClFN2 and a molecular weight of 140.59 g/mol. Its IUPAC name is (3-fluoroazetidin-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-fluoroazetidin-3-yl)methanamine;hydrochloride
PubChem CID118998286
Molecular FormulaC4H10ClFN2
Molecular Weight140.59 g/mol
Exact Mass140.05
IUPAC Name(3-fluoroazetidin-3-yl)methanamine;hydrochloride
SMILESCl.NCC1(F)CNC1
InChIInChI=1S/C4H9FN2.ClH/c5-4(1-6)2-7-3-4;/h7H,1-3,6H2;1H
InChIKeyLYQFRLCMMICFHH-UHFFFAOYSA-N
XLogP-0.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.59
LogP ≤ 5-0.32
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;hydrochloride?
The IUPAC name of (3-fluoroazetidin-3-yl)methanamine;hydrochloride (CID 118998286) is (3-fluoroazetidin-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-fluoroazetidin-3-yl)methanamine;hydrochloride?
The canonical SMILES for (3-fluoroazetidin-3-yl)methanamine;hydrochloride is Cl.NCC1(F)CNC1.
What is the InChIKey of (3-fluoroazetidin-3-yl)methanamine;hydrochloride?
The InChIKey is LYQFRLCMMICFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN2.ClH/c5-4(1-6)2-7-3-4;/h7H,1-3,6H2;1H.
What are the key properties of (3-fluoroazetidin-3-yl)methanamine;hydrochloride?
(3-fluoroazetidin-3-yl)methanamine;hydrochloride has a molecular weight of 140.59 g/mol, XLogP of -0.32, 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;hydrochloride is sourced from PubChem (CID 118998286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).