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

C5H11ClF3NO — CID 87235150

IUPAC(2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol;hydrochloride
SMILESC[C@H](N)[C@](C)(O)C(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-3(9)4(2,10)5(6,7)8;/h3,10H,9H2,1-2H3;1H/t3-,4-;/m0./s1
InChIKeyNDAVNHWKHKWZHB-MMALYQPHSA-N
MW193.60 g/mol
LogP1.07
Rot. Bonds1

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

(2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol;hydrochloride (PubChem CID 87235150) has the molecular formula C5H11ClF3NO and a molecular weight of 193.60 g/mol. Its IUPAC name is (2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol;hydrochloride
PubChem CID87235150
Molecular FormulaC5H11ClF3NO
Molecular Weight193.60 g/mol
Exact Mass193.05
IUPAC Name(2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol;hydrochloride
SMILESC[C@H](N)[C@](C)(O)C(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-3(9)4(2,10)5(6,7)8;/h3,10H,9H2,1-2H3;1H/t3-,4-;/m0./s1
InChIKeyNDAVNHWKHKWZHB-MMALYQPHSA-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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol;hydrochloride?
The IUPAC name of (2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol;hydrochloride (CID 87235150) is (2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol;hydrochloride.
What is the SMILES notation for (2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol;hydrochloride?
The canonical SMILES for (2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol;hydrochloride is C[C@H](N)[C@](C)(O)C(F)(F)F.Cl.
What is the InChIKey of (2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol;hydrochloride?
The InChIKey is NDAVNHWKHKWZHB-MMALYQPHSA-N. The full InChI is InChI=1S/C5H10F3NO.ClH/c1-3(9)4(2,10)5(6,7)8;/h3,10H,9H2,1-2H3;1H/t3-,4-;/m0./s1.
What are the key properties of (2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol;hydrochloride?
(2S,3S)-3-amino-1,1,1-trifluoro-2-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 (2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol;hydrochloride is sourced from PubChem (CID 87235150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).