(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone

C17H20F3NO — CID 171949785

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(C(F)(F)F)cc1C(=O)C1CC2CCC(C1)N2C
InChIInChI=1S/C17H20F3NO/c1-10-3-4-12(17(18,19)20)9-15(10)16(22)11-7-13-5-6-14(8-11)21(13)2/h3-4,9,11,13-14H,5-8H2,1-2H3
InChIKeyGMRQJIGPKXEERR-UHFFFAOYSA-N
MW311.35 g/mol
LogP4.07
Rot. Bonds2

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone (PubChem CID 171949785) has the molecular formula C17H20F3NO and a molecular weight of 311.35 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone
PubChem CID171949785
Molecular FormulaC17H20F3NO
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(C(F)(F)F)cc1C(=O)C1CC2CCC(C1)N2C
InChIInChI=1S/C17H20F3NO/c1-10-3-4-12(17(18,19)20)9-15(10)16(22)11-7-13-5-6-14(8-11)21(13)2/h3-4,9,11,13-14H,5-8H2,1-2H3
InChIKeyGMRQJIGPKXEERR-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-methyl-5-(trifluoromethyl)phenyl]-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171949801
(2,3-difluoro-4-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 107512751
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[3-methyl-4-(trifluoromethyl)phenyl]methanone
CID 171949885
(2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171944994
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 171949810
[3,5-bis(trifluoromethyl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171939633
[2-fluoro-3-(trifluoromethyl)phenyl]-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171949560
(4-fluoro-2-methylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945077
(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 112680607
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone
CID 115997804
(4-methoxy-3,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171940671
(5-methoxy-2-methylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171947197

Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone (CID 171949785) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone is Cc1ccc(C(F)(F)F)cc1C(=O)C1CC2CCC(C1)N2C.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone?
The InChIKey is GMRQJIGPKXEERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO/c1-10-3-4-12(17(18,19)20)9-15(10)16(22)11-7-13-5-6-14(8-11)21(13)2/h3-4,9,11,13-14H,5-8H2,1-2H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone has a molecular weight of 311.35 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 171949785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).