(2S)-3,3,3-trifluoro-2-hydrazinyl-2-hydroxypropanehydrazide

C3H7F3N4O2 — CID 28691113

IUPAC(2S)-3,3,3-trifluoro-2-hydrazinyl-2-hydroxypropanehydrazide
SMILESNNC(=O)[C@@](O)(NN)C(F)(F)F
InChIInChI=1S/C3H7F3N4O2/c4-3(5,6)2(12,10-8)1(11)9-7/h10,12H,7-8H2,(H,9,11)/t2-/m0/s1
InChIKeyTXCWKGMKKWOSJD-REOHCLBHSA-N
MW188.11 g/mol
LogP-2.31
Rot. Bonds2

About (2S)-3,3,3-trifluoro-2-hydrazinyl-2-hydroxypropanehydrazide

(2S)-3,3,3-trifluoro-2-hydrazinyl-2-hydroxypropanehydrazide (PubChem CID 28691113) has the molecular formula C3H7F3N4O2 and a molecular weight of 188.11 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-2-hydrazinyl-2-hydroxypropanehydrazide.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-2-hydrazinyl-2-hydroxypropanehydrazide
PubChem CID28691113
Molecular FormulaC3H7F3N4O2
Molecular Weight188.11 g/mol
Exact Mass188.05
IUPAC Name(2S)-3,3,3-trifluoro-2-hydrazinyl-2-hydroxypropanehydrazide
SMILESNNC(=O)[C@@](O)(NN)C(F)(F)F
InChIInChI=1S/C3H7F3N4O2/c4-3(5,6)2(12,10-8)1(11)9-7/h10,12H,7-8H2,(H,9,11)/t2-/m0/s1
InChIKeyTXCWKGMKKWOSJD-REOHCLBHSA-N
XLogP-2.31
TPSA113.40 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 5-2.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-hydrazinyl-2-hydroxypropanehydrazide?
The IUPAC name of (2S)-3,3,3-trifluoro-2-hydrazinyl-2-hydroxypropanehydrazide (CID 28691113) is (2S)-3,3,3-trifluoro-2-hydrazinyl-2-hydroxypropanehydrazide.
What is the SMILES notation for (2S)-3,3,3-trifluoro-2-hydrazinyl-2-hydroxypropanehydrazide?
The canonical SMILES for (2S)-3,3,3-trifluoro-2-hydrazinyl-2-hydroxypropanehydrazide is NNC(=O)[C@@](O)(NN)C(F)(F)F.
What is the InChIKey of (2S)-3,3,3-trifluoro-2-hydrazinyl-2-hydroxypropanehydrazide?
The InChIKey is TXCWKGMKKWOSJD-REOHCLBHSA-N. The full InChI is InChI=1S/C3H7F3N4O2/c4-3(5,6)2(12,10-8)1(11)9-7/h10,12H,7-8H2,(H,9,11)/t2-/m0/s1.
What are the key properties of (2S)-3,3,3-trifluoro-2-hydrazinyl-2-hydroxypropanehydrazide?
(2S)-3,3,3-trifluoro-2-hydrazinyl-2-hydroxypropanehydrazide has a molecular weight of 188.11 g/mol, XLogP of -2.31, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3,3-trifluoro-2-hydrazinyl-2-hydroxypropanehydrazide is sourced from PubChem (CID 28691113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).