2,2,2-trifluoro-1-(oxan-4-yl)ethanamine;hydrochloride

C7H13ClF3NO — CID 122714164

IUPAC2,2,2-trifluoro-1-(oxan-4-yl)ethanamine;hydrochloride
SMILESCl.NC(C1CCOCC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO.ClH/c8-7(9,10)6(11)5-1-3-12-4-2-5;/h5-6H,1-4,11H2;1H
InChIKeyMBDMWPLGAFDSKZ-UHFFFAOYSA-N
MW219.63 g/mol
LogP1.72
Rot. Bonds1

About 2,2,2-trifluoro-1-(oxan-4-yl)ethanamine;hydrochloride

2,2,2-trifluoro-1-(oxan-4-yl)ethanamine;hydrochloride (PubChem CID 122714164) has the molecular formula C7H13ClF3NO and a molecular weight of 219.63 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(oxan-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(oxan-4-yl)ethanamine;hydrochloride
PubChem CID122714164
Molecular FormulaC7H13ClF3NO
Molecular Weight219.63 g/mol
Exact Mass219.06
IUPAC Name2,2,2-trifluoro-1-(oxan-4-yl)ethanamine;hydrochloride
SMILESCl.NC(C1CCOCC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO.ClH/c8-7(9,10)6(11)5-1-3-12-4-2-5;/h5-6H,1-4,11H2;1H
InChIKeyMBDMWPLGAFDSKZ-UHFFFAOYSA-N
XLogP1.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(oxan-4-yl)ethanamine;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-1-(oxan-4-yl)ethanamine;hydrochloride (CID 122714164) is 2,2,2-trifluoro-1-(oxan-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-1-(oxan-4-yl)ethanamine;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-1-(oxan-4-yl)ethanamine;hydrochloride is Cl.NC(C1CCOCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(oxan-4-yl)ethanamine;hydrochloride?
The InChIKey is MBDMWPLGAFDSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO.ClH/c8-7(9,10)6(11)5-1-3-12-4-2-5;/h5-6H,1-4,11H2;1H.
What are the key properties of 2,2,2-trifluoro-1-(oxan-4-yl)ethanamine;hydrochloride?
2,2,2-trifluoro-1-(oxan-4-yl)ethanamine;hydrochloride has a molecular weight of 219.63 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(oxan-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 122714164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).