2,2-difluoro-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide

C8H11F2NO2 — CID 130608890

IUPAC2,2-difluoro-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
SMILESO=C(N[C@H]1CC2CCC1O2)C(F)F
InChIInChI=1S/C8H11F2NO2/c9-7(10)8(12)11-5-3-4-1-2-6(5)13-4/h4-7H,1-3H2,(H,11,12)/t4?,5-,6?/m0/s1
InChIKeyOJFPESOVAMAHGH-XRVVJQKQSA-N
MW191.18 g/mol
LogP0.69
Rot. Bonds2

About 2,2-difluoro-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide

2,2-difluoro-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide (PubChem CID 130608890) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
PubChem CID130608890
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name2,2-difluoro-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
SMILESO=C(N[C@H]1CC2CCC1O2)C(F)F
InChIInChI=1S/C8H11F2NO2/c9-7(10)8(12)11-5-3-4-1-2-6(5)13-4/h4-7H,1-3H2,(H,11,12)/t4?,5-,6?/m0/s1
InChIKeyOJFPESOVAMAHGH-XRVVJQKQSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide (CID 130608890) is 2,2-difluoro-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide is O=C(N[C@H]1CC2CCC1O2)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide?
The InChIKey is OJFPESOVAMAHGH-XRVVJQKQSA-N. The full InChI is InChI=1S/C8H11F2NO2/c9-7(10)8(12)11-5-3-4-1-2-6(5)13-4/h4-7H,1-3H2,(H,11,12)/t4?,5-,6?/m0/s1.
What are the key properties of 2,2-difluoro-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide?
2,2-difluoro-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide has a molecular weight of 191.18 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide is sourced from PubChem (CID 130608890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).