N-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide

C7H5F3N2OS — CID 177392116

IUPACN-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/C(F)(F)F)c1cccs1
InChIInChI=1S/C7H5F3N2OS/c8-7(9,10)4-11-12-6(13)5-2-1-3-14-5/h1-4H,(H,12,13)/b11-4+
InChIKeyPPKQTRPCAKAKGA-NYYWCZLTSA-N
MW222.19 g/mol
LogP2.03
Rot. Bonds2

About N-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide

N-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide (PubChem CID 177392116) has the molecular formula C7H5F3N2OS and a molecular weight of 222.19 g/mol. Its IUPAC name is N-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide
PubChem CID177392116
Molecular FormulaC7H5F3N2OS
Molecular Weight222.19 g/mol
Exact Mass222.01
IUPAC NameN-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/C(F)(F)F)c1cccs1
InChIInChI=1S/C7H5F3N2OS/c8-7(9,10)4-11-12-6(13)5-2-1-3-14-5/h1-4H,(H,12,13)/b11-4+
InChIKeyPPKQTRPCAKAKGA-NYYWCZLTSA-N
XLogP2.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-butylideneamino]thiophene-2-carboxamide
CID 6114128
N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide
CID 6910346
N-sulfanylthiophene-2-carboxamide
CID 87476143
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide
CID 6880392
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6878439
N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide
CID 6861718
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]thiophene-2-carboxamide
CID 5390300
N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 773960
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide
CID 5391936
N-formylthiophene-2-carboxamide
CID 2771336
N-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 2643472
N-[(E)-(4-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 6869209

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide (CID 177392116) is N-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide is O=C(N/N=C/C(F)(F)F)c1cccs1.
What is the InChIKey of N-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide?
The InChIKey is PPKQTRPCAKAKGA-NYYWCZLTSA-N. The full InChI is InChI=1S/C7H5F3N2OS/c8-7(9,10)4-11-12-6(13)5-2-1-3-14-5/h1-4H,(H,12,13)/b11-4+.
What are the key properties of N-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide?
N-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide has a molecular weight of 222.19 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 177392116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).