3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol;hydrochloride

C9H11ClF3NO — CID 47003261

IUPAC3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol;hydrochloride
SMILESCl.NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO.ClH/c10-9(11,12)8(14,6-13)7-4-2-1-3-5-7;/h1-5,14H,6,13H2;1H
InChIKeySQHUFJXWRGURQO-UHFFFAOYSA-N
MW241.64 g/mol
LogP1.82
Rot. Bonds2

About 3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol;hydrochloride

3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol;hydrochloride (PubChem CID 47003261) has the molecular formula C9H11ClF3NO and a molecular weight of 241.64 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol;hydrochloride
PubChem CID47003261
Molecular FormulaC9H11ClF3NO
Molecular Weight241.64 g/mol
Exact Mass241.05
IUPAC Name3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol;hydrochloride
SMILESCl.NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO.ClH/c10-9(11,12)8(14,6-13)7-4-2-1-3-5-7;/h1-5,14H,6,13H2;1H
InChIKeySQHUFJXWRGURQO-UHFFFAOYSA-N
XLogP1.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol;hydrochloride?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol;hydrochloride (CID 47003261) is 3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol;hydrochloride.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol;hydrochloride?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol;hydrochloride is Cl.NCC(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol;hydrochloride?
The InChIKey is SQHUFJXWRGURQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO.ClH/c10-9(11,12)8(14,6-13)7-4-2-1-3-5-7;/h1-5,14H,6,13H2;1H.
What are the key properties of 3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol;hydrochloride?
3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol;hydrochloride has a molecular weight of 241.64 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 47003261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).