3-methyl-6-(trifluoromethyl)-3-azabicyclo[3.2.1]octan-8-one

C9H12F3NO — CID 138583324

IUPAC3-methyl-6-(trifluoromethyl)-3-azabicyclo[3.2.1]octan-8-one
SMILESCN1CC2CC(C(F)(F)F)C(C1)C2=O
InChIInChI=1S/C9H12F3NO/c1-13-3-5-2-7(9(10,11)12)6(4-13)8(5)14/h5-7H,2-4H2,1H3
InChIKeyUUALPRGAHHULHO-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.32
Rot. Bonds

About 3-methyl-6-(trifluoromethyl)-3-azabicyclo[3.2.1]octan-8-one

3-methyl-6-(trifluoromethyl)-3-azabicyclo[3.2.1]octan-8-one (PubChem CID 138583324) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 3-methyl-6-(trifluoromethyl)-3-azabicyclo[3.2.1]octan-8-one.

Molecular Properties

Compound Name3-methyl-6-(trifluoromethyl)-3-azabicyclo[3.2.1]octan-8-one
PubChem CID138583324
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name3-methyl-6-(trifluoromethyl)-3-azabicyclo[3.2.1]octan-8-one
SMILESCN1CC2CC(C(F)(F)F)C(C1)C2=O
InChIInChI=1S/C9H12F3NO/c1-13-3-5-2-7(9(10,11)12)6(4-13)8(5)14/h5-7H,2-4H2,1H3
InChIKeyUUALPRGAHHULHO-UHFFFAOYSA-N
XLogP1.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 58945024
(3S,5R)-3-(1,1-difluoroethyl)-1-methyl-5-(trifluoromethyl)piperidine
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6-methyl-2-[2-(trifluoromethyl)cyclopropyl]-1,3,6,2-dioxazaborocane-4,8-dione
CID 67951113
(1R,5R)-3-propyl-3-azabicyclo[3.1.1]heptan-6-one
CID 98070002
1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 134162476
5-(1-methyl-4-nitropyrrolidin-3-yl)-2-(trifluoromethyl)pyridine
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(7S)-2,4,7-trimethyl-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridin-6-one
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1-methyl-2-(trifluoromethyl)cyclopropane
CID 19768867
1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
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5-[2-fluoro-4-(trifluoromethyl)phenyl]-1-methylpiperidine-3-carboxylic acid
CID 68761819

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(trifluoromethyl)-3-azabicyclo[3.2.1]octan-8-one?
The IUPAC name of 3-methyl-6-(trifluoromethyl)-3-azabicyclo[3.2.1]octan-8-one (CID 138583324) is 3-methyl-6-(trifluoromethyl)-3-azabicyclo[3.2.1]octan-8-one.
What is the SMILES notation for 3-methyl-6-(trifluoromethyl)-3-azabicyclo[3.2.1]octan-8-one?
The canonical SMILES for 3-methyl-6-(trifluoromethyl)-3-azabicyclo[3.2.1]octan-8-one is CN1CC2CC(C(F)(F)F)C(C1)C2=O.
What is the InChIKey of 3-methyl-6-(trifluoromethyl)-3-azabicyclo[3.2.1]octan-8-one?
The InChIKey is UUALPRGAHHULHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-13-3-5-2-7(9(10,11)12)6(4-13)8(5)14/h5-7H,2-4H2,1H3.
What are the key properties of 3-methyl-6-(trifluoromethyl)-3-azabicyclo[3.2.1]octan-8-one?
3-methyl-6-(trifluoromethyl)-3-azabicyclo[3.2.1]octan-8-one has a molecular weight of 207.19 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(trifluoromethyl)-3-azabicyclo[3.2.1]octan-8-one is sourced from PubChem (CID 138583324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).