N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-difluoroacetamide

C9H14F2N2O — CID 130690212

IUPACN-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-difluoroacetamide
SMILESO=C(NC1C[C@H]2CC[C@@H](C1)N2)C(F)F
InChIInChI=1S/C9H14F2N2O/c10-8(11)9(14)13-7-3-5-1-2-6(4-7)12-5/h5-8,12H,1-4H2,(H,13,14)/t5-,6+,7?
InChIKeyOYQOEYDKLXKGGL-MEKDEQNOSA-N
MW204.22 g/mol
LogP0.65
Rot. Bonds2

About N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-difluoroacetamide

N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-difluoroacetamide (PubChem CID 130690212) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-difluoroacetamide
PubChem CID130690212
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC NameN-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-difluoroacetamide
SMILESO=C(NC1C[C@H]2CC[C@@H](C1)N2)C(F)F
InChIInChI=1S/C9H14F2N2O/c10-8(11)9(14)13-7-3-5-1-2-6(4-7)12-5/h5-8,12H,1-4H2,(H,13,14)/t5-,6+,7?
InChIKeyOYQOEYDKLXKGGL-MEKDEQNOSA-N
XLogP0.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-difluoroacetamide?
The IUPAC name of N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-difluoroacetamide (CID 130690212) is N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-difluoroacetamide?
The canonical SMILES for N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-difluoroacetamide is O=C(NC1C[C@H]2CC[C@@H](C1)N2)C(F)F.
What is the InChIKey of N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-difluoroacetamide?
The InChIKey is OYQOEYDKLXKGGL-MEKDEQNOSA-N. The full InChI is InChI=1S/C9H14F2N2O/c10-8(11)9(14)13-7-3-5-1-2-6(4-7)12-5/h5-8,12H,1-4H2,(H,13,14)/t5-,6+,7?.
What are the key properties of N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-difluoroacetamide?
N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-difluoroacetamide has a molecular weight of 204.22 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 130690212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).