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

C10H14F3N3OS — CID 55215206

IUPAC5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCCN(Cc1ccc(C(=O)NN)s1)CC(F)(F)F
InChIInChI=1S/C10H14F3N3OS/c1-2-16(6-10(11,12)13)5-7-3-4-8(18-7)9(17)15-14/h3-4H,2,5-6,14H2,1H3,(H,15,17)
InChIKeyYAWYFMXNOOGZGX-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.74
Rot. Bonds5

About 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide

5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 55215206) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID55215206
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCCN(Cc1ccc(C(=O)NN)s1)CC(F)(F)F
InChIInChI=1S/C10H14F3N3OS/c1-2-16(6-10(11,12)13)5-7-3-4-8(18-7)9(17)15-14/h3-4H,2,5-6,14H2,1H3,(H,15,17)
InChIKeyYAWYFMXNOOGZGX-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.74
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 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide (CID 55215206) is 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide is CCN(Cc1ccc(C(=O)NN)s1)CC(F)(F)F.
What is the InChIKey of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is YAWYFMXNOOGZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-2-16(6-10(11,12)13)5-7-3-4-8(18-7)9(17)15-14/h3-4H,2,5-6,14H2,1H3,(H,15,17).
What are the key properties of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide?
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide has a molecular weight of 281.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 55215206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).