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

C5H12ClF3N2O — CID 42632351

IUPAC(2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol;hydrochloride
SMILESC[C@@H]([C@@H](CO)NN)C(F)(F)F.Cl
InChIInChI=1S/C5H11F3N2O.ClH/c1-3(5(6,7)8)4(2-11)10-9;/h3-4,10-11H,2,9H2,1H3;1H/t3-,4+;/m0./s1
InChIKeyGSQPUIKXFCONPJ-RFKZQXLXSA-N
MW208.61 g/mol
LogP0.43
Rot. Bonds3

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

(2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol;hydrochloride (PubChem CID 42632351) has the molecular formula C5H12ClF3N2O and a molecular weight of 208.61 g/mol. Its IUPAC name is (2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol;hydrochloride
PubChem CID42632351
Molecular FormulaC5H12ClF3N2O
Molecular Weight208.61 g/mol
Exact Mass208.06
IUPAC Name(2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol;hydrochloride
SMILESC[C@@H]([C@@H](CO)NN)C(F)(F)F.Cl
InChIInChI=1S/C5H11F3N2O.ClH/c1-3(5(6,7)8)4(2-11)10-9;/h3-4,10-11H,2,9H2,1H3;1H/t3-,4+;/m0./s1
InChIKeyGSQPUIKXFCONPJ-RFKZQXLXSA-N
XLogP0.43
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.61
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-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

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol;hydrochloride?
The IUPAC name of (2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol;hydrochloride (CID 42632351) is (2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol;hydrochloride.
What is the SMILES notation for (2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol;hydrochloride?
The canonical SMILES for (2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol;hydrochloride is C[C@@H]([C@@H](CO)NN)C(F)(F)F.Cl.
What is the InChIKey of (2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol;hydrochloride?
The InChIKey is GSQPUIKXFCONPJ-RFKZQXLXSA-N. The full InChI is InChI=1S/C5H11F3N2O.ClH/c1-3(5(6,7)8)4(2-11)10-9;/h3-4,10-11H,2,9H2,1H3;1H/t3-,4+;/m0./s1.
What are the key properties of (2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol;hydrochloride?
(2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol;hydrochloride has a molecular weight of 208.61 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol;hydrochloride is sourced from PubChem (CID 42632351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).