N-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide

C13H18F3NO2 — CID 78883229

IUPACN-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1ccc(CC)o1
InChIInChI=1S/C13H18F3NO2/c1-3-5-8-17(9-13(14,15)16)12(18)11-7-6-10(4-2)19-11/h6-7H,3-5,8-9H2,1-2H3
InChIKeyUBYYLMDXOVSUJM-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.65
Rot. Bonds6

About N-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide

N-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide (PubChem CID 78883229) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is N-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
PubChem CID78883229
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC NameN-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1ccc(CC)o1
InChIInChI=1S/C13H18F3NO2/c1-3-5-8-17(9-13(14,15)16)12(18)11-7-6-10(4-2)19-11/h6-7H,3-5,8-9H2,1-2H3
InChIKeyUBYYLMDXOVSUJM-UHFFFAOYSA-N
XLogP3.65
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 115771226
2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid
CID 54898860
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54906063
N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78866721
5-bromo-N,N-dibutylfuran-2-carboxamide
CID 3627667
3-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 60778389
4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103915592
N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80719091
N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62235473
N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 78883116
1-(5-ethylfuran-2-yl)heptan-1-one
CID 114752170
5-ethyl-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 97051830

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide?
The IUPAC name of N-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide (CID 78883229) is N-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide.
What is the SMILES notation for N-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide?
The canonical SMILES for N-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1ccc(CC)o1.
What is the InChIKey of N-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide?
The InChIKey is UBYYLMDXOVSUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-3-5-8-17(9-13(14,15)16)12(18)11-7-6-10(4-2)19-11/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of N-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide?
N-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide has a molecular weight of 277.29 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide is sourced from PubChem (CID 78883229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).