2,3,4-trifluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide

C16H8F6N2O3 — CID 11988794

IUPAC2,3,4-trifluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide
SMILESO=C(Nc1noc2cccc(OCC(F)(F)F)c12)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H8F6N2O3/c17-8-5-4-7(12(18)13(8)19)15(25)23-14-11-9(26-6-16(20,21)22)2-1-3-10(11)27-24-14/h1-5H,6H2,(H,23,24,25)
InChIKeyVFGVMVSOIIDLGM-UHFFFAOYSA-N
MW390.24 g/mol
LogP4.44
Rot. Bonds4

About 2,3,4-trifluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide

2,3,4-trifluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide (PubChem CID 11988794) has the molecular formula C16H8F6N2O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide
PubChem CID11988794
Molecular FormulaC16H8F6N2O3
Molecular Weight390.24 g/mol
Exact Mass390.04
IUPAC Name2,3,4-trifluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide
SMILESO=C(Nc1noc2cccc(OCC(F)(F)F)c12)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H8F6N2O3/c17-8-5-4-7(12(18)13(8)19)15(25)23-14-11-9(26-6-16(20,21)22)2-1-3-10(11)27-24-14/h1-5H,6H2,(H,23,24,25)
InChIKeyVFGVMVSOIIDLGM-UHFFFAOYSA-N
XLogP4.44
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide (CID 11988794) is 2,3,4-trifluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide is O=C(Nc1noc2cccc(OCC(F)(F)F)c12)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide?
The InChIKey is VFGVMVSOIIDLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F6N2O3/c17-8-5-4-7(12(18)13(8)19)15(25)23-14-11-9(26-6-16(20,21)22)2-1-3-10(11)27-24-14/h1-5H,6H2,(H,23,24,25).
What are the key properties of 2,3,4-trifluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide?
2,3,4-trifluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide has a molecular weight of 390.24 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide is sourced from PubChem (CID 11988794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).