N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide

C13H13F3N2O2 — CID 66194976

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide
SMILESNC1C2CCOC2C1NC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H13F3N2O2/c14-5-3-7(15)9(8(16)4-5)13(19)18-11-10(17)6-1-2-20-12(6)11/h3-4,6,10-12H,1-2,17H2,(H,18,19)
InChIKeyQLEPHAYSEYRING-UHFFFAOYSA-N
MW286.25 g/mol
LogP0.95
Rot. Bonds2

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide (PubChem CID 66194976) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide
PubChem CID66194976
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide
SMILESNC1C2CCOC2C1NC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H13F3N2O2/c14-5-3-7(15)9(8(16)4-5)13(19)18-11-10(17)6-1-2-20-12(6)11/h3-4,6,10-12H,1-2,17H2,(H,18,19)
InChIKeyQLEPHAYSEYRING-UHFFFAOYSA-N
XLogP0.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide (CID 66194976) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide is NC1C2CCOC2C1NC(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide?
The InChIKey is QLEPHAYSEYRING-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c14-5-3-7(15)9(8(16)4-5)13(19)18-11-10(17)6-1-2-20-12(6)11/h3-4,6,10-12H,1-2,17H2,(H,18,19).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide has a molecular weight of 286.25 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide is sourced from PubChem (CID 66194976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).