(2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol;hydrochloride

C5H11ClF3NO — CID 42632353

IUPAC(2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol;hydrochloride
SMILESC[C@@H]([C@H](N)CO)C(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-3(4(9)2-10)5(6,7)8;/h3-4,10H,2,9H2,1H3;1H/t3-,4+;/m0./s1
InChIKeyQVWLNWXJZANAOX-RFKZQXLXSA-N
MW193.60 g/mol
LogP0.93
Rot. Bonds2

About (2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol;hydrochloride

(2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol;hydrochloride (PubChem CID 42632353) has the molecular formula C5H11ClF3NO and a molecular weight of 193.60 g/mol. Its IUPAC name is (2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol;hydrochloride
PubChem CID42632353
Molecular FormulaC5H11ClF3NO
Molecular Weight193.60 g/mol
Exact Mass193.05
IUPAC Name(2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol;hydrochloride
SMILESC[C@@H]([C@H](N)CO)C(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-3(4(9)2-10)5(6,7)8;/h3-4,10H,2,9H2,1H3;1H/t3-,4+;/m0./s1
InChIKeyQVWLNWXJZANAOX-RFKZQXLXSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol;hydrochloride?
The IUPAC name of (2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol;hydrochloride (CID 42632353) is (2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol;hydrochloride.
What is the SMILES notation for (2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol;hydrochloride?
The canonical SMILES for (2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol;hydrochloride is C[C@@H]([C@H](N)CO)C(F)(F)F.Cl.
What is the InChIKey of (2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol;hydrochloride?
The InChIKey is QVWLNWXJZANAOX-RFKZQXLXSA-N. The full InChI is InChI=1S/C5H10F3NO.ClH/c1-3(4(9)2-10)5(6,7)8;/h3-4,10H,2,9H2,1H3;1H/t3-,4+;/m0./s1.
What are the key properties of (2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol;hydrochloride?
(2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol;hydrochloride has a molecular weight of 193.60 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol;hydrochloride is sourced from PubChem (CID 42632353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).