2-[8-(2,2-difluoroacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C11H15F2NO3 — CID 103513384

IUPAC2-[8-(2,2-difluoroacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2C(=O)C(F)F
InChIInChI=1S/C11H15F2NO3/c12-10(13)11(17)14-7-1-2-8(14)4-6(3-7)5-9(15)16/h6-8,10H,1-5H2,(H,15,16)
InChIKeyDLQVUPSWGOJFCN-UHFFFAOYSA-N
MW247.24 g/mol
LogP1.50
Rot. Bonds3

About 2-[8-(2,2-difluoroacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-(2,2-difluoroacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 103513384) has the molecular formula C11H15F2NO3 and a molecular weight of 247.24 g/mol. Its IUPAC name is 2-[8-(2,2-difluoroacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(2,2-difluoroacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID103513384
Molecular FormulaC11H15F2NO3
Molecular Weight247.24 g/mol
Exact Mass247.10
IUPAC Name2-[8-(2,2-difluoroacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2C(=O)C(F)F
InChIInChI=1S/C11H15F2NO3/c12-10(13)11(17)14-7-1-2-8(14)4-6(3-7)5-9(15)16/h6-8,10H,1-5H2,(H,15,16)
InChIKeyDLQVUPSWGOJFCN-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(2,2-difluoroacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(2,2-difluoroacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 103513384) is 2-[8-(2,2-difluoroacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(2,2-difluoroacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(2,2-difluoroacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is O=C(O)CC1CC2CCC(C1)N2C(=O)C(F)F.
What is the InChIKey of 2-[8-(2,2-difluoroacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is DLQVUPSWGOJFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3/c12-10(13)11(17)14-7-1-2-8(14)4-6(3-7)5-9(15)16/h6-8,10H,1-5H2,(H,15,16).
What are the key properties of 2-[8-(2,2-difluoroacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(2,2-difluoroacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 247.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2,2-difluoroacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 103513384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).