2-(aminomethyl)-1,1,1-trifluorobutan-2-ol;hydrochloride

C5H11ClF3NO — CID 121379133

IUPAC2-(aminomethyl)-1,1,1-trifluorobutan-2-ol;hydrochloride
SMILESCCC(O)(CN)C(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-2-4(10,3-9)5(6,7)8;/h10H,2-3,9H2,1H3;1H
InChIKeyQKSJSPSVDXGEPN-UHFFFAOYSA-N
MW193.60 g/mol
LogP1.07
Rot. Bonds2

About 2-(aminomethyl)-1,1,1-trifluorobutan-2-ol;hydrochloride

2-(aminomethyl)-1,1,1-trifluorobutan-2-ol;hydrochloride (PubChem CID 121379133) has the molecular formula C5H11ClF3NO and a molecular weight of 193.60 g/mol. Its IUPAC name is 2-(aminomethyl)-1,1,1-trifluorobutan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-1,1,1-trifluorobutan-2-ol;hydrochloride
PubChem CID121379133
Molecular FormulaC5H11ClF3NO
Molecular Weight193.60 g/mol
Exact Mass193.05
IUPAC Name2-(aminomethyl)-1,1,1-trifluorobutan-2-ol;hydrochloride
SMILESCCC(O)(CN)C(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-2-4(10,3-9)5(6,7)8;/h10H,2-3,9H2,1H3;1H
InChIKeyQKSJSPSVDXGEPN-UHFFFAOYSA-N
XLogP1.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.60
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1,1,1-trifluorobutan-2-ol;hydrochloride?
The IUPAC name of 2-(aminomethyl)-1,1,1-trifluorobutan-2-ol;hydrochloride (CID 121379133) is 2-(aminomethyl)-1,1,1-trifluorobutan-2-ol;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-1,1,1-trifluorobutan-2-ol;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-1,1,1-trifluorobutan-2-ol;hydrochloride is CCC(O)(CN)C(F)(F)F.Cl.
What is the InChIKey of 2-(aminomethyl)-1,1,1-trifluorobutan-2-ol;hydrochloride?
The InChIKey is QKSJSPSVDXGEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO.ClH/c1-2-4(10,3-9)5(6,7)8;/h10H,2-3,9H2,1H3;1H.
What are the key properties of 2-(aminomethyl)-1,1,1-trifluorobutan-2-ol;hydrochloride?
2-(aminomethyl)-1,1,1-trifluorobutan-2-ol;hydrochloride has a molecular weight of 193.60 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1,1,1-trifluorobutan-2-ol;hydrochloride is sourced from PubChem (CID 121379133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).