2-amino-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide;2,2-difluorobutane

C14H25F3N2O — CID 176716844

IUPAC2-amino-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide;2,2-difluorobutane
SMILESCCC(C)(F)F.NCC(=O)NC12CCC(F)(CC1)CC2
InChIInChI=1S/C10H17FN2O.C4H8F2/c11-9-1-4-10(5-2-9,6-3-9)13-8(14)7-12;1-3-4(2,5)6/h1-7,12H2,(H,13,14);3H2,1-2H3
InChIKeyYQCYUAURANFSIV-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.93
Rot. Bonds3

About 2-amino-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide;2,2-difluorobutane

2-amino-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide;2,2-difluorobutane (PubChem CID 176716844) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-amino-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide;2,2-difluorobutane.

Molecular Properties

Compound Name2-amino-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide;2,2-difluorobutane
PubChem CID176716844
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name2-amino-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide;2,2-difluorobutane
SMILESCCC(C)(F)F.NCC(=O)NC12CCC(F)(CC1)CC2
InChIInChI=1S/C10H17FN2O.C4H8F2/c11-9-1-4-10(5-2-9,6-3-9)13-8(14)7-12;1-3-4(2,5)6/h1-7,12H2,(H,13,14);3H2,1-2H3
InChIKeyYQCYUAURANFSIV-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide;2,2-difluorobutane?
The IUPAC name of 2-amino-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide;2,2-difluorobutane (CID 176716844) is 2-amino-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide;2,2-difluorobutane.
What is the SMILES notation for 2-amino-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide;2,2-difluorobutane?
The canonical SMILES for 2-amino-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide;2,2-difluorobutane is CCC(C)(F)F.NCC(=O)NC12CCC(F)(CC1)CC2.
What is the InChIKey of 2-amino-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide;2,2-difluorobutane?
The InChIKey is YQCYUAURANFSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O.C4H8F2/c11-9-1-4-10(5-2-9,6-3-9)13-8(14)7-12;1-3-4(2,5)6/h1-7,12H2,(H,13,14);3H2,1-2H3.
What are the key properties of 2-amino-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide;2,2-difluorobutane?
2-amino-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide;2,2-difluorobutane has a molecular weight of 294.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetamide;2,2-difluorobutane is sourced from PubChem (CID 176716844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).