[(3R)-3-fluorooxan-3-yl]methanamine;hydrochloride

C6H13ClFNO — CID 168963553

IUPAC[(3R)-3-fluorooxan-3-yl]methanamine;hydrochloride
SMILESCl.NC[C@]1(F)CCCOC1
InChIInChI=1S/C6H12FNO.ClH/c7-6(4-8)2-1-3-9-5-6;/h1-5,8H2;1H/t6-;/m1./s1
InChIKeyLYAJNJVCKLFPHC-FYZOBXCZSA-N
MW169.63 g/mol
LogP0.89
Rot. Bonds1

About [(3R)-3-fluorooxan-3-yl]methanamine;hydrochloride

[(3R)-3-fluorooxan-3-yl]methanamine;hydrochloride (PubChem CID 168963553) has the molecular formula C6H13ClFNO and a molecular weight of 169.63 g/mol. Its IUPAC name is [(3R)-3-fluorooxan-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(3R)-3-fluorooxan-3-yl]methanamine;hydrochloride
PubChem CID168963553
Molecular FormulaC6H13ClFNO
Molecular Weight169.63 g/mol
Exact Mass169.07
IUPAC Name[(3R)-3-fluorooxan-3-yl]methanamine;hydrochloride
SMILESCl.NC[C@]1(F)CCCOC1
InChIInChI=1S/C6H12FNO.ClH/c7-6(4-8)2-1-3-9-5-6;/h1-5,8H2;1H/t6-;/m1./s1
InChIKeyLYAJNJVCKLFPHC-FYZOBXCZSA-N
XLogP0.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.63
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-fluorooxan-3-yl]methanamine;hydrochloride?
The IUPAC name of [(3R)-3-fluorooxan-3-yl]methanamine;hydrochloride (CID 168963553) is [(3R)-3-fluorooxan-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [(3R)-3-fluorooxan-3-yl]methanamine;hydrochloride?
The canonical SMILES for [(3R)-3-fluorooxan-3-yl]methanamine;hydrochloride is Cl.NC[C@]1(F)CCCOC1.
What is the InChIKey of [(3R)-3-fluorooxan-3-yl]methanamine;hydrochloride?
The InChIKey is LYAJNJVCKLFPHC-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H12FNO.ClH/c7-6(4-8)2-1-3-9-5-6;/h1-5,8H2;1H/t6-;/m1./s1.
What are the key properties of [(3R)-3-fluorooxan-3-yl]methanamine;hydrochloride?
[(3R)-3-fluorooxan-3-yl]methanamine;hydrochloride has a molecular weight of 169.63 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-fluorooxan-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 168963553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).