(2S)-4,4,4-trifluoro-2-(methoxymethylamino)-3,3-dimethylbutanehydrazide

C8H16F3N3O2 — CID 135301717

IUPAC(2S)-4,4,4-trifluoro-2-(methoxymethylamino)-3,3-dimethylbutanehydrazide
SMILESCOCN[C@H](C(=O)NN)C(C)(C)C(F)(F)F
InChIInChI=1S/C8H16F3N3O2/c1-7(2,8(9,10)11)5(6(15)14-12)13-4-16-3/h5,13H,4,12H2,1-3H3,(H,14,15)/t5-/m1/s1
InChIKeyWRPIIERZOUBCKT-RXMQYKEDSA-N
MW243.23 g/mol
LogP0.13
Rot. Bonds5

About (2S)-4,4,4-trifluoro-2-(methoxymethylamino)-3,3-dimethylbutanehydrazide

(2S)-4,4,4-trifluoro-2-(methoxymethylamino)-3,3-dimethylbutanehydrazide (PubChem CID 135301717) has the molecular formula C8H16F3N3O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is (2S)-4,4,4-trifluoro-2-(methoxymethylamino)-3,3-dimethylbutanehydrazide.

Molecular Properties

Compound Name(2S)-4,4,4-trifluoro-2-(methoxymethylamino)-3,3-dimethylbutanehydrazide
PubChem CID135301717
Molecular FormulaC8H16F3N3O2
Molecular Weight243.23 g/mol
Exact Mass243.12
IUPAC Name(2S)-4,4,4-trifluoro-2-(methoxymethylamino)-3,3-dimethylbutanehydrazide
SMILESCOCN[C@H](C(=O)NN)C(C)(C)C(F)(F)F
InChIInChI=1S/C8H16F3N3O2/c1-7(2,8(9,10)11)5(6(15)14-12)13-4-16-3/h5,13H,4,12H2,1-3H3,(H,14,15)/t5-/m1/s1
InChIKeyWRPIIERZOUBCKT-RXMQYKEDSA-N
XLogP0.13
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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)-4,4,4-trifluoro-2-(methoxymethylamino)-3,3-dimethylbutanehydrazide?
The IUPAC name of (2S)-4,4,4-trifluoro-2-(methoxymethylamino)-3,3-dimethylbutanehydrazide (CID 135301717) is (2S)-4,4,4-trifluoro-2-(methoxymethylamino)-3,3-dimethylbutanehydrazide.
What is the SMILES notation for (2S)-4,4,4-trifluoro-2-(methoxymethylamino)-3,3-dimethylbutanehydrazide?
The canonical SMILES for (2S)-4,4,4-trifluoro-2-(methoxymethylamino)-3,3-dimethylbutanehydrazide is COCN[C@H](C(=O)NN)C(C)(C)C(F)(F)F.
What is the InChIKey of (2S)-4,4,4-trifluoro-2-(methoxymethylamino)-3,3-dimethylbutanehydrazide?
The InChIKey is WRPIIERZOUBCKT-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H16F3N3O2/c1-7(2,8(9,10)11)5(6(15)14-12)13-4-16-3/h5,13H,4,12H2,1-3H3,(H,14,15)/t5-/m1/s1.
What are the key properties of (2S)-4,4,4-trifluoro-2-(methoxymethylamino)-3,3-dimethylbutanehydrazide?
(2S)-4,4,4-trifluoro-2-(methoxymethylamino)-3,3-dimethylbutanehydrazide has a molecular weight of 243.23 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4,4-trifluoro-2-(methoxymethylamino)-3,3-dimethylbutanehydrazide is sourced from PubChem (CID 135301717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).