N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-difluoroacetamide

C11H18F2N2O — CID 103514114

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-difluoroacetamide
SMILESCCN(C(=O)C(F)F)C1CC2CCC(C1)N2
InChIInChI=1S/C11H18F2N2O/c1-2-15(11(16)10(12)13)9-5-7-3-4-8(6-9)14-7/h7-10,14H,2-6H2,1H3
InChIKeyYQVNBAIVVOFZRO-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.38
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-difluoroacetamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-difluoroacetamide (PubChem CID 103514114) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-difluoroacetamide
PubChem CID103514114
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-difluoroacetamide
SMILESCCN(C(=O)C(F)F)C1CC2CCC(C1)N2
InChIInChI=1S/C11H18F2N2O/c1-2-15(11(16)10(12)13)9-5-7-3-4-8(6-9)14-7/h7-10,14H,2-6H2,1H3
InChIKeyYQVNBAIVVOFZRO-UHFFFAOYSA-N
XLogP1.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-ethyl-2,2-difluoroacetamide
CID 103515263
1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea
CID 79161480
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide
CID 61231318
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-methylcyclopropane-1-carboxamide
CID 61232277
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylpentanamide
CID 114875579
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpiperidine-1-carboxamide
CID 79155372
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpent-4-ynamide
CID 114028609
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-ethylacetamide
CID 61230747
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyloxolane-3-carboxamide
CID 61271461
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 61231886
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide
CID 61231707
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide
CID 61230749

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-difluoroacetamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-difluoroacetamide (CID 103514114) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-difluoroacetamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-difluoroacetamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-difluoroacetamide is CCN(C(=O)C(F)F)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-difluoroacetamide?
The InChIKey is YQVNBAIVVOFZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c1-2-15(11(16)10(12)13)9-5-7-3-4-8(6-9)14-7/h7-10,14H,2-6H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-difluoroacetamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-difluoroacetamide has a molecular weight of 232.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-difluoroacetamide is sourced from PubChem (CID 103514114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).