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

C4H9ClFNO — CID 167741164

IUPAC(3-fluorooxetan-3-yl)methanamine;hydrochloride
SMILESCl.NCC1(F)COC1
InChIInChI=1S/C4H8FNO.ClH/c5-4(1-6)2-7-3-4;/h1-3,6H2;1H
InChIKeyHCTQZCXZLBOQIE-UHFFFAOYSA-N
MW141.57 g/mol
LogP0.11
Rot. Bonds1

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

(3-fluorooxetan-3-yl)methanamine;hydrochloride (PubChem CID 167741164) has the molecular formula C4H9ClFNO and a molecular weight of 141.57 g/mol. Its IUPAC name is (3-fluorooxetan-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-fluorooxetan-3-yl)methanamine;hydrochloride
PubChem CID167741164
Molecular FormulaC4H9ClFNO
Molecular Weight141.57 g/mol
Exact Mass141.04
IUPAC Name(3-fluorooxetan-3-yl)methanamine;hydrochloride
SMILESCl.NCC1(F)COC1
InChIInChI=1S/C4H8FNO.ClH/c5-4(1-6)2-7-3-4;/h1-3,6H2;1H
InChIKeyHCTQZCXZLBOQIE-UHFFFAOYSA-N
XLogP0.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.57
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluorooxetan-3-yl)methanamine;hydrochloride?
The IUPAC name of (3-fluorooxetan-3-yl)methanamine;hydrochloride (CID 167741164) is (3-fluorooxetan-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-fluorooxetan-3-yl)methanamine;hydrochloride?
The canonical SMILES for (3-fluorooxetan-3-yl)methanamine;hydrochloride is Cl.NCC1(F)COC1.
What is the InChIKey of (3-fluorooxetan-3-yl)methanamine;hydrochloride?
The InChIKey is HCTQZCXZLBOQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO.ClH/c5-4(1-6)2-7-3-4;/h1-3,6H2;1H.
What are the key properties of (3-fluorooxetan-3-yl)methanamine;hydrochloride?
(3-fluorooxetan-3-yl)methanamine;hydrochloride has a molecular weight of 141.57 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorooxetan-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 167741164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).