N-(1,1,2-trifluoroethyl)thiophene-3-carboxamide

C7H6F3NOS — CID 173053511

IUPACN-(1,1,2-trifluoroethyl)thiophene-3-carboxamide
SMILESO=C(NC(F)(F)CF)c1ccsc1
InChIInChI=1S/C7H6F3NOS/c8-4-7(9,10)11-6(12)5-1-2-13-3-5/h1-3H,4H2,(H,11,12)
InChIKeyRWFPIYYFGPTLTH-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.04
Rot. Bonds3

About N-(1,1,2-trifluoroethyl)thiophene-3-carboxamide

N-(1,1,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 173053511) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is N-(1,1,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1,1,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID173053511
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC NameN-(1,1,2-trifluoroethyl)thiophene-3-carboxamide
SMILESO=C(NC(F)(F)CF)c1ccsc1
InChIInChI=1S/C7H6F3NOS/c8-4-7(9,10)11-6(12)5-1-2-13-3-5/h1-3H,4H2,(H,11,12)
InChIKeyRWFPIYYFGPTLTH-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Thiophene-3-carboxamide
CID 11205757
N-tert-butylthiophene-3-carboxamide
CID 9794067
N-acetylthiophene-3-carboxamide
CID 12104590
N-Butylthiophene-3-carboxamide
CID 12161492
3-thiophenecarboxamide, N-2-propynyl-
CID 60656784
N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 45497145
N-(trifluoromethyl)thiophene-3-carboxamide
CID 90993042
Thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118270512
N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide
CID 154513377
N-tert-butyl-5-fluorothiophene-3-carboxamide
CID 154621469
N-methylthiophene-3-carboxamide
CID 819553
N-propanoylthiophene-3-carboxamide
CID 12104591

Frequently Asked Questions

What is the IUPAC name of N-(1,1,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of N-(1,1,2-trifluoroethyl)thiophene-3-carboxamide (CID 173053511) is N-(1,1,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(1,1,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(1,1,2-trifluoroethyl)thiophene-3-carboxamide is O=C(NC(F)(F)CF)c1ccsc1.
What is the InChIKey of N-(1,1,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is RWFPIYYFGPTLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c8-4-7(9,10)11-6(12)5-1-2-13-3-5/h1-3H,4H2,(H,11,12).
What are the key properties of N-(1,1,2-trifluoroethyl)thiophene-3-carboxamide?
N-(1,1,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 209.19 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 173053511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).