N-(2-azabicyclo[2.1.1]hexan-5-yl)-2,2-difluoroacetamide

C7H10F2N2O — CID 131059615

IUPACN-(2-azabicyclo[2.1.1]hexan-5-yl)-2,2-difluoroacetamide
SMILESO=C(NC1C2CNC1C2)C(F)F
InChIInChI=1S/C7H10F2N2O/c8-6(9)7(12)11-5-3-1-4(5)10-2-3/h3-6,10H,1-2H2,(H,11,12)
InChIKeyCLXKPMOHPAIYPN-UHFFFAOYSA-N
MW176.17 g/mol
LogP-0.27
Rot. Bonds2

About N-(2-azabicyclo[2.1.1]hexan-5-yl)-2,2-difluoroacetamide

N-(2-azabicyclo[2.1.1]hexan-5-yl)-2,2-difluoroacetamide (PubChem CID 131059615) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is N-(2-azabicyclo[2.1.1]hexan-5-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.1.1]hexan-5-yl)-2,2-difluoroacetamide
PubChem CID131059615
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC NameN-(2-azabicyclo[2.1.1]hexan-5-yl)-2,2-difluoroacetamide
SMILESO=C(NC1C2CNC1C2)C(F)F
InChIInChI=1S/C7H10F2N2O/c8-6(9)7(12)11-5-3-1-4(5)10-2-3/h3-6,10H,1-2H2,(H,11,12)
InChIKeyCLXKPMOHPAIYPN-UHFFFAOYSA-N
XLogP-0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2,2-difluoroacetamide
CID 103600661
benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate
CID 122156999
N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-difluoroacetamide
CID 130690212
2-azabicyclo[2.2.1]heptan-7-ylcarbamic acid
CID 126506712
(1S,4S)-2-azabicyclo[2.1.0]pentane
CID 29082085
(1R,4R)-2-azabicyclo[2.1.0]pentane
CID 29082087
2-azabicyclo[2.1.0]pentane;hydrochloride
CID 67309553
amino 2-azabicyclo[2.1.1]hexane-5-carboxylate
CID 177168799
2,2-difluoro-N-[(1S,3R)-3-methylcyclopentyl]acetamide
CID 165385919
3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid
CID 103513356
(1S,4R,5S)-5-fluoro-2-azabicyclo[2.1.1]hexane
CID 55280748
1-(2-azabicyclo[2.1.1]hexan-5-yl)-3-methylbut-3-en-1-one
CID 130787831

Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.1.1]hexan-5-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(2-azabicyclo[2.1.1]hexan-5-yl)-2,2-difluoroacetamide (CID 131059615) is N-(2-azabicyclo[2.1.1]hexan-5-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(2-azabicyclo[2.1.1]hexan-5-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(2-azabicyclo[2.1.1]hexan-5-yl)-2,2-difluoroacetamide is O=C(NC1C2CNC1C2)C(F)F.
What is the InChIKey of N-(2-azabicyclo[2.1.1]hexan-5-yl)-2,2-difluoroacetamide?
The InChIKey is CLXKPMOHPAIYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c8-6(9)7(12)11-5-3-1-4(5)10-2-3/h3-6,10H,1-2H2,(H,11,12).
What are the key properties of N-(2-azabicyclo[2.1.1]hexan-5-yl)-2,2-difluoroacetamide?
N-(2-azabicyclo[2.1.1]hexan-5-yl)-2,2-difluoroacetamide has a molecular weight of 176.17 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.1.1]hexan-5-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 131059615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).