2,2,2-trifluoro-N-[3-(5-hydrazinylthiophen-3-yl)phenyl]acetamide

C12H10F3N3OS — CID 45156804

IUPAC2,2,2-trifluoro-N-[3-(5-hydrazinylthiophen-3-yl)phenyl]acetamide
SMILESNNc1cc(-c2cccc(NC(=O)C(F)(F)F)c2)cs1
InChIInChI=1S/C12H10F3N3OS/c13-12(14,15)11(19)17-9-3-1-2-7(4-9)8-5-10(18-16)20-6-8/h1-6,18H,16H2,(H,17,19)
InChIKeyBMCVEGDRCLRYJJ-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.20
Rot. Bonds3

About 2,2,2-trifluoro-N-[3-(5-hydrazinylthiophen-3-yl)phenyl]acetamide

2,2,2-trifluoro-N-[3-(5-hydrazinylthiophen-3-yl)phenyl]acetamide (PubChem CID 45156804) has the molecular formula C12H10F3N3OS and a molecular weight of 301.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-(5-hydrazinylthiophen-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-(5-hydrazinylthiophen-3-yl)phenyl]acetamide
PubChem CID45156804
Molecular FormulaC12H10F3N3OS
Molecular Weight301.29 g/mol
Exact Mass301.05
IUPAC Name2,2,2-trifluoro-N-[3-(5-hydrazinylthiophen-3-yl)phenyl]acetamide
SMILESNNc1cc(-c2cccc(NC(=O)C(F)(F)F)c2)cs1
InChIInChI=1S/C12H10F3N3OS/c13-12(14,15)11(19)17-9-3-1-2-7(4-9)8-5-10(18-16)20-6-8/h1-6,18H,16H2,(H,17,19)
InChIKeyBMCVEGDRCLRYJJ-UHFFFAOYSA-N
XLogP3.20
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2,2-trifluoroacetamide
CID 28865303
N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 86634456
N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide
CID 108933365
2,2,2-trifluoro-N-(3-quinazolin-2-ylphenyl)acetamide
CID 158853303
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
2,2,2-trifluoro-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 17334942
2,2,2-trifluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 18567784
2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 79792418
N-[3-[(Z)-2-amino-1-(methylamino)ethenyl]phenyl]-2,2,2-trifluoroacetamide
CID 170268995
2,2,2-trifluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 7422488

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-(5-hydrazinylthiophen-3-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-(5-hydrazinylthiophen-3-yl)phenyl]acetamide (CID 45156804) is 2,2,2-trifluoro-N-[3-(5-hydrazinylthiophen-3-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-(5-hydrazinylthiophen-3-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-(5-hydrazinylthiophen-3-yl)phenyl]acetamide is NNc1cc(-c2cccc(NC(=O)C(F)(F)F)c2)cs1.
What is the InChIKey of 2,2,2-trifluoro-N-[3-(5-hydrazinylthiophen-3-yl)phenyl]acetamide?
The InChIKey is BMCVEGDRCLRYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS/c13-12(14,15)11(19)17-9-3-1-2-7(4-9)8-5-10(18-16)20-6-8/h1-6,18H,16H2,(H,17,19).
What are the key properties of 2,2,2-trifluoro-N-[3-(5-hydrazinylthiophen-3-yl)phenyl]acetamide?
2,2,2-trifluoro-N-[3-(5-hydrazinylthiophen-3-yl)phenyl]acetamide has a molecular weight of 301.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-(5-hydrazinylthiophen-3-yl)phenyl]acetamide is sourced from PubChem (CID 45156804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).