3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide

C9H12F3N3OS — CID 55244179

IUPAC3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCN(Cc1ccsc1C(=O)NN)CC(F)(F)F
InChIInChI=1S/C9H12F3N3OS/c1-15(5-9(10,11)12)4-6-2-3-17-7(6)8(16)14-13/h2-3H,4-5,13H2,1H3,(H,14,16)
InChIKeySHRLMWQHTPKPNF-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.35
Rot. Bonds4

About 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide

3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 55244179) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID55244179
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCN(Cc1ccsc1C(=O)NN)CC(F)(F)F
InChIInChI=1S/C9H12F3N3OS/c1-15(5-9(10,11)12)4-6-2-3-17-7(6)8(16)14-13/h2-3H,4-5,13H2,1H3,(H,14,16)
InChIKeySHRLMWQHTPKPNF-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide (CID 55244179) is 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide is CN(Cc1ccsc1C(=O)NN)CC(F)(F)F.
What is the InChIKey of 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is SHRLMWQHTPKPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c1-15(5-9(10,11)12)4-6-2-3-17-7(6)8(16)14-13/h2-3H,4-5,13H2,1H3,(H,14,16).
What are the key properties of 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide?
3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide has a molecular weight of 267.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 55244179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).