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

C8H12F2N2O2 — CID 103514217

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2-difluoroacetamide
SMILESNC1C2CCOC2C1NC(=O)C(F)F
InChIInChI=1S/C8H12F2N2O2/c9-7(10)8(13)12-5-4(11)3-1-2-14-6(3)5/h3-7H,1-2,11H2,(H,12,13)
InChIKeyIKDURNDVIIFCKT-UHFFFAOYSA-N
MW206.19 g/mol
LogP-0.52
Rot. Bonds2

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

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2-difluoroacetamide (PubChem CID 103514217) has the molecular formula C8H12F2N2O2 and a molecular weight of 206.19 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2-difluoroacetamide
PubChem CID103514217
Molecular FormulaC8H12F2N2O2
Molecular Weight206.19 g/mol
Exact Mass206.09
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2-difluoroacetamide
SMILESNC1C2CCOC2C1NC(=O)C(F)F
InChIInChI=1S/C8H12F2N2O2/c9-7(10)8(13)12-5-4(11)3-1-2-14-6(3)5/h3-7H,1-2,11H2,(H,12,13)
InChIKeyIKDURNDVIIFCKT-UHFFFAOYSA-N
XLogP-0.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-0.52
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)-2,2-difluoroacetamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2-difluoroacetamide (CID 103514217) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2-difluoroacetamide is NC1C2CCOC2C1NC(=O)C(F)F.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2-difluoroacetamide?
The InChIKey is IKDURNDVIIFCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O2/c9-7(10)8(13)12-5-4(11)3-1-2-14-6(3)5/h3-7H,1-2,11H2,(H,12,13).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2-difluoroacetamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,2-difluoroacetamide has a molecular weight of 206.19 g/mol, XLogP of -0.52, 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)-2,2-difluoroacetamide is sourced from PubChem (CID 103514217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).