8-(3-fluoropropyl)-1-methyl-8-azabicyclo[3.2.1]octan-3-one

C11H18FNO — CID 123895532

IUPAC8-(3-fluoropropyl)-1-methyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCC12CCC(CC(=O)C1)N2CCCF
InChIInChI=1S/C11H18FNO/c1-11-4-3-9(7-10(14)8-11)13(11)6-2-5-12/h9H,2-8H2,1H3
InChIKeyZZLLYMKCNXTCRB-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.93
Rot. Bonds3

About 8-(3-fluoropropyl)-1-methyl-8-azabicyclo[3.2.1]octan-3-one

8-(3-fluoropropyl)-1-methyl-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 123895532) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 8-(3-fluoropropyl)-1-methyl-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(3-fluoropropyl)-1-methyl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID123895532
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name8-(3-fluoropropyl)-1-methyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCC12CCC(CC(=O)C1)N2CCCF
InChIInChI=1S/C11H18FNO/c1-11-4-3-9(7-10(14)8-11)13(11)6-2-5-12/h9H,2-8H2,1H3
InChIKeyZZLLYMKCNXTCRB-UHFFFAOYSA-N
XLogP1.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoropropyl)-1-methyl-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(3-fluoropropyl)-1-methyl-8-azabicyclo[3.2.1]octan-3-one (CID 123895532) is 8-(3-fluoropropyl)-1-methyl-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(3-fluoropropyl)-1-methyl-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(3-fluoropropyl)-1-methyl-8-azabicyclo[3.2.1]octan-3-one is CC12CCC(CC(=O)C1)N2CCCF.
What is the InChIKey of 8-(3-fluoropropyl)-1-methyl-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is ZZLLYMKCNXTCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-11-4-3-9(7-10(14)8-11)13(11)6-2-5-12/h9H,2-8H2,1H3.
What are the key properties of 8-(3-fluoropropyl)-1-methyl-8-azabicyclo[3.2.1]octan-3-one?
8-(3-fluoropropyl)-1-methyl-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 199.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoropropyl)-1-methyl-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 123895532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).