(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3,4,5-trifluorophenyl)methanone

C15H16F3NO — CID 171948261

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3,4,5-trifluorophenyl)methanone
SMILESCN1C2CCC1CC(C(=O)c1cc(F)c(F)c(F)c1)C2
InChIInChI=1S/C15H16F3NO/c1-19-10-2-3-11(19)5-8(4-10)15(20)9-6-12(16)14(18)13(17)7-9/h6-8,10-11H,2-5H2,1H3
InChIKeyLDDFDGUEZLOECR-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.16
Rot. Bonds2

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3,4,5-trifluorophenyl)methanone

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3,4,5-trifluorophenyl)methanone (PubChem CID 171948261) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3,4,5-trifluorophenyl)methanone
PubChem CID171948261
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3,4,5-trifluorophenyl)methanone
SMILESCN1C2CCC1CC(C(=O)c1cc(F)c(F)c(F)c1)C2
InChIInChI=1S/C15H16F3NO/c1-19-10-2-3-11(19)5-8(4-10)15(20)9-6-12(16)14(18)13(17)7-9/h6-8,10-11H,2-5H2,1H3
InChIKeyLDDFDGUEZLOECR-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-(8-methyl-8-azabicyclo[3.2.1]octane-3-carbonyl)benzonitrile
CID 171946784
cyclopropyl-(3,4,5-trifluorophenyl)methanone
CID 24724112
[4-(difluoromethyl)phenyl]-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171947669
(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-[2-fluoro-5-(8-methyl-8-azabicyclo[3.2.1]octane-3-carbonyl)phenyl]acetonitrile
CID 171940048
(2,3-difluoro-4-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 107512751
4-fluoro-3-(8-methyl-8-azabicyclo[3.2.1]octane-3-carbonyl)benzonitrile
CID 171946734
(2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171944994
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[3-methyl-4-(trifluoromethyl)phenyl]methanone
CID 171949885
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-propan-2-ylphenyl)methanone
CID 171947769
(3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 113447198

Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3,4,5-trifluorophenyl)methanone (CID 171948261) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3,4,5-trifluorophenyl)methanone is CN1C2CCC1CC(C(=O)c1cc(F)c(F)c(F)c1)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3,4,5-trifluorophenyl)methanone?
The InChIKey is LDDFDGUEZLOECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-19-10-2-3-11(19)5-8(4-10)15(20)9-6-12(16)14(18)13(17)7-9/h6-8,10-11H,2-5H2,1H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3,4,5-trifluorophenyl)methanone?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3,4,5-trifluorophenyl)methanone has a molecular weight of 283.29 g/mol, XLogP of 3.16, 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)-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 171948261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).