1-(4-fluorooxan-4-yl)-N-methylmethanamine;hydrochloride

C7H15ClFNO — CID 170910132

IUPAC1-(4-fluorooxan-4-yl)-N-methylmethanamine;hydrochloride
SMILESCNCC1(F)CCOCC1.Cl
InChIInChI=1S/C7H14FNO.ClH/c1-9-6-7(8)2-4-10-5-3-7;/h9H,2-6H2,1H3;1H
InChIKeyZVJDUBFIZJUBJB-UHFFFAOYSA-N
MW183.65 g/mol
LogP1.15
Rot. Bonds2

About 1-(4-fluorooxan-4-yl)-N-methylmethanamine;hydrochloride

1-(4-fluorooxan-4-yl)-N-methylmethanamine;hydrochloride (PubChem CID 170910132) has the molecular formula C7H15ClFNO and a molecular weight of 183.65 g/mol. Its IUPAC name is 1-(4-fluorooxan-4-yl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorooxan-4-yl)-N-methylmethanamine;hydrochloride
PubChem CID170910132
Molecular FormulaC7H15ClFNO
Molecular Weight183.65 g/mol
Exact Mass183.08
IUPAC Name1-(4-fluorooxan-4-yl)-N-methylmethanamine;hydrochloride
SMILESCNCC1(F)CCOCC1.Cl
InChIInChI=1S/C7H14FNO.ClH/c1-9-6-7(8)2-4-10-5-3-7;/h9H,2-6H2,1H3;1H
InChIKeyZVJDUBFIZJUBJB-UHFFFAOYSA-N
XLogP1.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.65
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorooxan-4-yl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(4-fluorooxan-4-yl)-N-methylmethanamine;hydrochloride (CID 170910132) is 1-(4-fluorooxan-4-yl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(4-fluorooxan-4-yl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(4-fluorooxan-4-yl)-N-methylmethanamine;hydrochloride is CNCC1(F)CCOCC1.Cl.
What is the InChIKey of 1-(4-fluorooxan-4-yl)-N-methylmethanamine;hydrochloride?
The InChIKey is ZVJDUBFIZJUBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO.ClH/c1-9-6-7(8)2-4-10-5-3-7;/h9H,2-6H2,1H3;1H.
What are the key properties of 1-(4-fluorooxan-4-yl)-N-methylmethanamine;hydrochloride?
1-(4-fluorooxan-4-yl)-N-methylmethanamine;hydrochloride has a molecular weight of 183.65 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorooxan-4-yl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 170910132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).