N-(2,2,2-trifluoroethoxy)furan-3-carboxamide

C7H6F3NO3 — CID 81344043

IUPACN-(2,2,2-trifluoroethoxy)furan-3-carboxamide
SMILESO=C(NOCC(F)(F)F)c1ccoc1
InChIInChI=1S/C7H6F3NO3/c8-7(9,10)4-14-11-6(12)5-1-2-13-3-5/h1-3H,4H2,(H,11,12)
InChIKeyOIWYXJQWLGYJAX-UHFFFAOYSA-N
MW209.12 g/mol
LogP1.50
Rot. Bonds3

About N-(2,2,2-trifluoroethoxy)furan-3-carboxamide

N-(2,2,2-trifluoroethoxy)furan-3-carboxamide (PubChem CID 81344043) has the molecular formula C7H6F3NO3 and a molecular weight of 209.12 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)furan-3-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)furan-3-carboxamide
PubChem CID81344043
Molecular FormulaC7H6F3NO3
Molecular Weight209.12 g/mol
Exact Mass209.03
IUPAC NameN-(2,2,2-trifluoroethoxy)furan-3-carboxamide
SMILESO=C(NOCC(F)(F)F)c1ccoc1
InChIInChI=1S/C7H6F3NO3/c8-7(9,10)4-14-11-6(12)5-1-2-13-3-5/h1-3H,4H2,(H,11,12)
InChIKeyOIWYXJQWLGYJAX-UHFFFAOYSA-N
XLogP1.50
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methoxyfuran-3-carboxamide
CID 60701103
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide
CID 18149564
(furan-3-carbonylamino) 2,2-dimethylpropanoate
CID 170986081
3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81435190
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
CID 37175499
3,5-dimethoxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340679
6-methyl-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 81340039
6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 81343163
4,4,4-trifluorobutyl furan-3-carboxylate
CID 86781454
N-carbamoylfuran-3-carboxamide
CID 54444166
N-chlorofuran-3-carboxamide
CID 144607311
3-nitro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340817

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)furan-3-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethoxy)furan-3-carboxamide (CID 81344043) is N-(2,2,2-trifluoroethoxy)furan-3-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)furan-3-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)furan-3-carboxamide is O=C(NOCC(F)(F)F)c1ccoc1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)furan-3-carboxamide?
The InChIKey is OIWYXJQWLGYJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3/c8-7(9,10)4-14-11-6(12)5-1-2-13-3-5/h1-3H,4H2,(H,11,12).
What are the key properties of N-(2,2,2-trifluoroethoxy)furan-3-carboxamide?
N-(2,2,2-trifluoroethoxy)furan-3-carboxamide has a molecular weight of 209.12 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)furan-3-carboxamide is sourced from PubChem (CID 81344043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).