(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanehydrazide

C10H11F3N2O2 — CID 14087286

IUPAC(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanehydrazide
SMILESCO[C@](C(=O)NN)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-17-9(8(16)15-14,10(11,12)13)7-5-3-2-4-6-7/h2-6H,14H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyIUEPHSYHVUWVGR-VIFPVBQESA-N
MW248.20 g/mol
LogP1.08
Rot. Bonds3

About (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanehydrazide

(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanehydrazide (PubChem CID 14087286) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanehydrazide.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanehydrazide
PubChem CID14087286
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanehydrazide
SMILESCO[C@](C(=O)NN)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-17-9(8(16)15-14,10(11,12)13)7-5-3-2-4-6-7/h2-6H,14H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyIUEPHSYHVUWVGR-VIFPVBQESA-N
XLogP1.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanehydrazide?
The IUPAC name of (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanehydrazide (CID 14087286) is (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanehydrazide.
What is the SMILES notation for (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanehydrazide?
The canonical SMILES for (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanehydrazide is CO[C@](C(=O)NN)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanehydrazide?
The InChIKey is IUEPHSYHVUWVGR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-17-9(8(16)15-14,10(11,12)13)7-5-3-2-4-6-7/h2-6H,14H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanehydrazide?
(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanehydrazide has a molecular weight of 248.20 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanehydrazide is sourced from PubChem (CID 14087286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).