3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride

C4H9ClF3NO — CID 14503245

IUPAC3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride
SMILESCC(N)C(O)C(F)(F)F.Cl
InChIInChI=1S/C4H8F3NO.ClH/c1-2(8)3(9)4(5,6)7;/h2-3,9H,8H2,1H3;1H
InChIKeyVFMKPKXHRNKGGM-UHFFFAOYSA-N
MW179.57 g/mol
LogP0.68
Rot. Bonds1

About 3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride

3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride (PubChem CID 14503245) has the molecular formula C4H9ClF3NO and a molecular weight of 179.57 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride
PubChem CID14503245
Molecular FormulaC4H9ClF3NO
Molecular Weight179.57 g/mol
Exact Mass179.03
IUPAC Name3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride
SMILESCC(N)C(O)C(F)(F)F.Cl
InChIInChI=1S/C4H8F3NO.ClH/c1-2(8)3(9)4(5,6)7;/h2-3,9H,8H2,1H3;1H
InChIKeyVFMKPKXHRNKGGM-UHFFFAOYSA-N
XLogP0.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.57
LogP ≤ 50.68
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-trifluorobutan-2-ol;hydrochloride?
The IUPAC name of 3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride (CID 14503245) is 3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride.
What is the SMILES notation for 3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride?
The canonical SMILES for 3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride is CC(N)C(O)C(F)(F)F.Cl.
What is the InChIKey of 3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride?
The InChIKey is VFMKPKXHRNKGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO.ClH/c1-2(8)3(9)4(5,6)7;/h2-3,9H,8H2,1H3;1H.
What are the key properties of 3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride?
3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride has a molecular weight of 179.57 g/mol, XLogP of 0.68, 1 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-trifluorobutan-2-ol;hydrochloride is sourced from PubChem (CID 14503245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).