N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide

C13H10F3NO3 — CID 46421870

IUPACN-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C13H10F3NO3/c14-13(15,16)8-20-10-5-3-9(4-6-10)17-12(18)11-2-1-7-19-11/h1-7H,8H2,(H,17,18)
InChIKeyKWBUTBKAHHDADP-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.47
Rot. Bonds4

About N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide

N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide (PubChem CID 46421870) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide
PubChem CID46421870
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC NameN-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C13H10F3NO3/c14-13(15,16)8-20-10-5-3-9(4-6-10)17-12(18)11-2-1-7-19-11/h1-7H,8H2,(H,17,18)
InChIKeyKWBUTBKAHHDADP-UHFFFAOYSA-N
XLogP3.47
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide
CID 55776313
N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]phenyl]furan-2-carboxamide
CID 2531024
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
[4-(furan-2-carbonylamino)phenyl] acetate
CID 1262434
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide
CID 134010341
methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate
CID 112787723
N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide
CID 4781667
N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carboxamide
CID 2526970
N-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 55851453

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide (CID 46421870) is N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide is O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccco1.
What is the InChIKey of N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide?
The InChIKey is KWBUTBKAHHDADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3/c14-13(15,16)8-20-10-5-3-9(4-6-10)17-12(18)11-2-1-7-19-11/h1-7H,8H2,(H,17,18).
What are the key properties of N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide?
N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide has a molecular weight of 285.22 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide is sourced from PubChem (CID 46421870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).