3-amino-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide

C8H8F4N2OS — CID 106289141

IUPAC3-amino-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H8F4N2OS/c9-7(10)8(11,12)3-14-6(15)5-4(13)1-2-16-5/h1-2,7H,3,13H2,(H,14,15)
InChIKeyYJKSMHGYKVVYEX-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.96
Rot. Bonds4

About 3-amino-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide

3-amino-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide (PubChem CID 106289141) has the molecular formula C8H8F4N2OS and a molecular weight of 256.22 g/mol. Its IUPAC name is 3-amino-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide
PubChem CID106289141
Molecular FormulaC8H8F4N2OS
Molecular Weight256.22 g/mol
Exact Mass256.03
IUPAC Name3-amino-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H8F4N2OS/c9-7(10)8(11,12)3-14-6(15)5-4(13)1-2-16-5/h1-2,7H,3,13H2,(H,14,15)
InChIKeyYJKSMHGYKVVYEX-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxyprop-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide
CID 106295344
3-amino-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
CID 61139791
3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide
CID 83142073
N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide
CID 61092677
2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106291883
2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 114168954
methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate
CID 107211618
3-amino-N-(5-methylhexyl)thiophene-2-carboxamide
CID 115324411
3-amino-N-[3-(tert-butylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 113409472
3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-carboxamide
CID 106308533
3-[(2,2,3,3-tetrafluoropropylamino)methyl]thiophene-2-carboxylic acid
CID 106294365
3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61090030

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide (CID 106289141) is 3-amino-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide is Nc1ccsc1C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 3-amino-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide?
The InChIKey is YJKSMHGYKVVYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2OS/c9-7(10)8(11,12)3-14-6(15)5-4(13)1-2-16-5/h1-2,7H,3,13H2,(H,14,15).
What are the key properties of 3-amino-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide?
3-amino-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide has a molecular weight of 256.22 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide is sourced from PubChem (CID 106289141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).