(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[3-methyl-4-(trifluoromethyl)phenyl]methanone

C17H20F3NO — CID 171949885

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[3-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(=O)C2CC3CCC(C2)N3C)ccc1C(F)(F)F
InChIInChI=1S/C17H20F3NO/c1-10-7-11(3-6-15(10)17(18,19)20)16(22)12-8-13-4-5-14(9-12)21(13)2/h3,6-7,12-14H,4-5,8-9H2,1-2H3
InChIKeyDMSFNZYASPGHJK-UHFFFAOYSA-N
MW311.35 g/mol
LogP4.07
Rot. Bonds2

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[3-methyl-4-(trifluoromethyl)phenyl]methanone

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[3-methyl-4-(trifluoromethyl)phenyl]methanone (PubChem CID 171949885) 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)-[3-methyl-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[3-methyl-4-(trifluoromethyl)phenyl]methanone
PubChem CID171949885
Molecular FormulaC17H20F3NO
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[3-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(=O)C2CC3CCC(C2)N3C)ccc1C(F)(F)F
InChIInChI=1S/C17H20F3NO/c1-10-7-11(3-6-15(10)17(18,19)20)16(22)12-8-13-4-5-14(9-12)21(13)2/h3,6-7,12-14H,4-5,8-9H2,1-2H3
InChIKeyDMSFNZYASPGHJK-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

[3-methyl-4-(trifluoromethyl)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171949890
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-[3-methyl-4-(trifluoromethyl)phenyl]methanone
CID 171949893
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone
CID 171945486
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone
CID 171949785
2-fluoro-5-(8-methyl-8-azabicyclo[3.2.1]octane-3-carbonyl)benzonitrile
CID 171946784
[4-(difluoromethyl)phenyl]-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171947669
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone
CID 171942646
(4-methoxy-3,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171940671
[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
[2,6-bis(trifluoromethyl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171939658
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 171948261

Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[3-methyl-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[3-methyl-4-(trifluoromethyl)phenyl]methanone (CID 171949885) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[3-methyl-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[3-methyl-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[3-methyl-4-(trifluoromethyl)phenyl]methanone is Cc1cc(C(=O)C2CC3CCC(C2)N3C)ccc1C(F)(F)F.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[3-methyl-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is DMSFNZYASPGHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO/c1-10-7-11(3-6-15(10)17(18,19)20)16(22)12-8-13-4-5-14(9-12)21(13)2/h3,6-7,12-14H,4-5,8-9H2,1-2H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[3-methyl-4-(trifluoromethyl)phenyl]methanone?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[3-methyl-4-(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)-[3-methyl-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 171949885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).