(4-fluorooxan-4-yl)methanamine;hydrochloride

C6H13ClFNO — CID 72698937

IUPAC(4-fluorooxan-4-yl)methanamine;hydrochloride
SMILESCl.NCC1(F)CCOCC1
InChIInChI=1S/C6H12FNO.ClH/c7-6(5-8)1-3-9-4-2-6;/h1-5,8H2;1H
InChIKeyMYIXTAIATODJHC-UHFFFAOYSA-N
MW169.63 g/mol
LogP0.89
Rot. Bonds1

About (4-fluorooxan-4-yl)methanamine;hydrochloride

(4-fluorooxan-4-yl)methanamine;hydrochloride (PubChem CID 72698937) has the molecular formula C6H13ClFNO and a molecular weight of 169.63 g/mol. Its IUPAC name is (4-fluorooxan-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-fluorooxan-4-yl)methanamine;hydrochloride
PubChem CID72698937
Molecular FormulaC6H13ClFNO
Molecular Weight169.63 g/mol
Exact Mass169.07
IUPAC Name(4-fluorooxan-4-yl)methanamine;hydrochloride
SMILESCl.NCC1(F)CCOCC1
InChIInChI=1S/C6H12FNO.ClH/c7-6(5-8)1-3-9-4-2-6;/h1-5,8H2;1H
InChIKeyMYIXTAIATODJHC-UHFFFAOYSA-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 (4-fluorooxan-4-yl)methanamine;hydrochloride?
The IUPAC name of (4-fluorooxan-4-yl)methanamine;hydrochloride (CID 72698937) is (4-fluorooxan-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (4-fluorooxan-4-yl)methanamine;hydrochloride?
The canonical SMILES for (4-fluorooxan-4-yl)methanamine;hydrochloride is Cl.NCC1(F)CCOCC1.
What is the InChIKey of (4-fluorooxan-4-yl)methanamine;hydrochloride?
The InChIKey is MYIXTAIATODJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO.ClH/c7-6(5-8)1-3-9-4-2-6;/h1-5,8H2;1H.
What are the key properties of (4-fluorooxan-4-yl)methanamine;hydrochloride?
(4-fluorooxan-4-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 (4-fluorooxan-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 72698937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).