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

C11H14F3NOS — CID 78883082

IUPACN-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1ccsc1
InChIInChI=1S/C11H14F3NOS/c1-2-3-5-15(8-11(12,13)14)10(16)9-4-6-17-7-9/h4,6-7H,2-3,5,8H2,1H3
InChIKeyXMSJHSYUIVJIOP-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.55
Rot. Bonds5

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

N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 78883082) has the molecular formula C11H14F3NOS and a molecular weight of 265.30 g/mol. Its IUPAC name is N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID78883082
Molecular FormulaC11H14F3NOS
Molecular Weight265.30 g/mol
Exact Mass265.07
IUPAC NameN-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1ccsc1
InChIInChI=1S/C11H14F3NOS/c1-2-3-5-15(8-11(12,13)14)10(16)9-4-6-17-7-9/h4,6-7H,2-3,5,8H2,1H3
InChIKeyXMSJHSYUIVJIOP-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 78883082) is N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1ccsc1.
What is the InChIKey of N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is XMSJHSYUIVJIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NOS/c1-2-3-5-15(8-11(12,13)14)10(16)9-4-6-17-7-9/h4,6-7H,2-3,5,8H2,1H3.
What are the key properties of N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 265.30 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 78883082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).