2-fluoro-2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one

C10H16FNO2 — CID 130165202

IUPAC2-fluoro-2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESCC(C)(F)C(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C10H16FNO2/c1-10(2,11)9(13)12-5-7-3-4-8(6-12)14-7/h7-8H,3-6H2,1-2H3
InChIKeyKLUKARDODJGKJB-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.12
Rot. Bonds1

About 2-fluoro-2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one

2-fluoro-2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one (PubChem CID 130165202) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
PubChem CID130165202
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name2-fluoro-2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESCC(C)(F)C(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C10H16FNO2/c1-10(2,11)9(13)12-5-7-3-4-8(6-12)14-7/h7-8H,3-6H2,1-2H3
InChIKeyKLUKARDODJGKJB-UHFFFAOYSA-N
XLogP1.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66370734
2,2-Difluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 103515791
2,2,3,3-Tetrafluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 103734136
2,2,3,3,3-Pentafluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 108095295
3-Heptanoyl-8-oxa-3-azabicyclo (3.2.1)octane
CID 21544542
1-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 21544569
1-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 21544575
2-Methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66370736
2,2-Dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66370919
Tert-butyl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 66370921
3,3-Dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 90142567
Propan-2-yl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 116656545

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The IUPAC name of 2-fluoro-2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one (CID 130165202) is 2-fluoro-2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one.
What is the SMILES notation for 2-fluoro-2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The canonical SMILES for 2-fluoro-2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one is CC(C)(F)C(=O)N1CC2CCC(C1)O2.
What is the InChIKey of 2-fluoro-2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The InChIKey is KLUKARDODJGKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-10(2,11)9(13)12-5-7-3-4-8(6-12)14-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-fluoro-2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
2-fluoro-2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one has a molecular weight of 201.24 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one is sourced from PubChem (CID 130165202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).