(1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one

C11H18FNO — CID 67209139

IUPAC(1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one
SMILESC[C@H]1C(=O)C[C@@H]2CC[C@H]1N2CCCF
InChIInChI=1S/C11H18FNO/c1-8-10-4-3-9(7-11(8)14)13(10)6-2-5-12/h8-10H,2-7H2,1H3/t8-,9+,10-/m1/s1
InChIKeyDHXWLWVPAHZFKG-KXUCPTDWSA-N
MW199.27 g/mol
LogP1.79
Rot. Bonds3

About (1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one

(1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 67209139) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is (1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID67209139
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name(1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one
SMILESC[C@H]1C(=O)C[C@@H]2CC[C@H]1N2CCCF
InChIInChI=1S/C11H18FNO/c1-8-10-4-3-9(7-11(8)14)13(10)6-2-5-12/h8-10H,2-7H2,1H3/t8-,9+,10-/m1/s1
InChIKeyDHXWLWVPAHZFKG-KXUCPTDWSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one with MolForge

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Related Compounds

1-(3-Cyclohexyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-propan-1-one
CID 44458599
1-(3-Ethyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-propan-1-one
CID 44458623
2,8-Dimethyl-8-azabicyclo[3.2.1]octan-3-one
CID 54521676
2-(1-Methylpyrrolidin-2-yl)cyclohexan-1-one
CID 71683276
2-(1-Piperidinylmethyl)cycloheptanone
CID 2829711
8-(3,3-Difluorobutyl)-8-azabicyclo[3.2.1]octan-3-one
CID 126776530
2-Methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 54292616
8-Methyl-2-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 54471378
2,4-Dimethyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 57195571
2-Methyl-8-azabicyclo[3.2.1]octan-3-one
CID 88987015
8-(3-Fluoropropyl)-1-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 123895532
1-(8-Methyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone
CID 18995706

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of (1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one (CID 67209139) is (1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one is C[C@H]1C(=O)C[C@@H]2CC[C@H]1N2CCCF.
What is the InChIKey of (1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is DHXWLWVPAHZFKG-KXUCPTDWSA-N. The full InChI is InChI=1S/C11H18FNO/c1-8-10-4-3-9(7-11(8)14)13(10)6-2-5-12/h8-10H,2-7H2,1H3/t8-,9+,10-/m1/s1.
What are the key properties of (1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one?
(1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 199.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 67209139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).