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

C5H11ClFNO — CID 126845870

IUPAC(3-fluorooxolan-3-yl)methanamine;hydrochloride
SMILESCl.NCC1(F)CCOC1
InChIInChI=1S/C5H10FNO.ClH/c6-5(3-7)1-2-8-4-5;/h1-4,7H2;1H
InChIKeyIKQOJJFYKXJLFC-UHFFFAOYSA-N
MW155.60 g/mol
LogP0.50
Rot. Bonds1

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

(3-fluorooxolan-3-yl)methanamine;hydrochloride (PubChem CID 126845870) has the molecular formula C5H11ClFNO and a molecular weight of 155.60 g/mol. Its IUPAC name is (3-fluorooxolan-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-fluorooxolan-3-yl)methanamine;hydrochloride
PubChem CID126845870
Molecular FormulaC5H11ClFNO
Molecular Weight155.60 g/mol
Exact Mass155.05
IUPAC Name(3-fluorooxolan-3-yl)methanamine;hydrochloride
SMILESCl.NCC1(F)CCOC1
InChIInChI=1S/C5H10FNO.ClH/c6-5(3-7)1-2-8-4-5;/h1-4,7H2;1H
InChIKeyIKQOJJFYKXJLFC-UHFFFAOYSA-N
XLogP0.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.60
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluorooxolan-3-yl)methanamine;hydrochloride?
The IUPAC name of (3-fluorooxolan-3-yl)methanamine;hydrochloride (CID 126845870) is (3-fluorooxolan-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-fluorooxolan-3-yl)methanamine;hydrochloride?
The canonical SMILES for (3-fluorooxolan-3-yl)methanamine;hydrochloride is Cl.NCC1(F)CCOC1.
What is the InChIKey of (3-fluorooxolan-3-yl)methanamine;hydrochloride?
The InChIKey is IKQOJJFYKXJLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO.ClH/c6-5(3-7)1-2-8-4-5;/h1-4,7H2;1H.
What are the key properties of (3-fluorooxolan-3-yl)methanamine;hydrochloride?
(3-fluorooxolan-3-yl)methanamine;hydrochloride has a molecular weight of 155.60 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorooxolan-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 126845870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).