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

C5H11ClF3NO — CID 19936549

IUPAC3-amino-1,1,1-trifluoro-3-methylbutan-2-ol;hydrochloride
SMILESCC(C)(N)C(O)C(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-4(2,9)3(10)5(6,7)8;/h3,10H,9H2,1-2H3;1H
InChIKeyDPXDWNFLDMHVIU-UHFFFAOYSA-N
MW193.60 g/mol
LogP1.07
Rot. Bonds1

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

3-amino-1,1,1-trifluoro-3-methylbutan-2-ol;hydrochloride (PubChem CID 19936549) has the molecular formula C5H11ClF3NO and a molecular weight of 193.60 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-3-methylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-3-methylbutan-2-ol;hydrochloride
PubChem CID19936549
Molecular FormulaC5H11ClF3NO
Molecular Weight193.60 g/mol
Exact Mass193.05
IUPAC Name3-amino-1,1,1-trifluoro-3-methylbutan-2-ol;hydrochloride
SMILESCC(C)(N)C(O)C(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-4(2,9)3(10)5(6,7)8;/h3,10H,9H2,1-2H3;1H
InChIKeyDPXDWNFLDMHVIU-UHFFFAOYSA-N
XLogP1.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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

Analyze 3-amino-1,1,1-trifluoro-3-methylbutan-2-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Amino-3-methylbutan-2-ol
CID 13319222
3-Amino-3-methylbutan-2-ol hydrochloride
CID 13319223
2-Amino-3,3,3-trifluoro-2-methylpropan-1-ol hydrochloride
CID 76453004
2-Amino-4,4,4-trifluoro-2-methylbutan-1-ol
CID 84071980
2-Amino-4,4-difluoro-2-methylbutan-1-ol hydrochloride
CID 145867329
3-Amino-1,1-difluoro-3-methylbutan-2-ol
CID 66037155
2-Amino-3,3-difluoro-2-methylpropan-1-ol hydrochloride
CID 137944855
2-Amino-3-fluoro-2-(fluoromethyl)propan-1-ol hydrochloride
CID 155858884
2-Butanol, 3-amino-1,1,1-trifluoro-3-methyl-
CID 19936550
(R)-2-Amino-3,3,3-trifluoro-2-methylpropan-1-ol hydrochloride
CID 56970085
(2R)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol
CID 56970086
2-Amino-3,3,3-trifluoro-2-methylpropan-1-ol
CID 76453005

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-3-methylbutan-2-ol;hydrochloride?
The IUPAC name of 3-amino-1,1,1-trifluoro-3-methylbutan-2-ol;hydrochloride (CID 19936549) is 3-amino-1,1,1-trifluoro-3-methylbutan-2-ol;hydrochloride.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-3-methylbutan-2-ol;hydrochloride?
The canonical SMILES for 3-amino-1,1,1-trifluoro-3-methylbutan-2-ol;hydrochloride is CC(C)(N)C(O)C(F)(F)F.Cl.
What is the InChIKey of 3-amino-1,1,1-trifluoro-3-methylbutan-2-ol;hydrochloride?
The InChIKey is DPXDWNFLDMHVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO.ClH/c1-4(2,9)3(10)5(6,7)8;/h3,10H,9H2,1-2H3;1H.
What are the key properties of 3-amino-1,1,1-trifluoro-3-methylbutan-2-ol;hydrochloride?
3-amino-1,1,1-trifluoro-3-methylbutan-2-ol;hydrochloride has a molecular weight of 193.60 g/mol, XLogP of 1.07, 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-trifluoro-3-methylbutan-2-ol;hydrochloride is sourced from PubChem (CID 19936549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).