8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one

C14H16FNO — CID 62741010

IUPAC8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCc1ccc(N2C3CCC2CC(=O)C3)cc1F
InChIInChI=1S/C14H16FNO/c1-9-2-3-12(8-14(9)15)16-10-4-5-11(16)7-13(17)6-10/h2-3,8,10-11H,4-7H2,1H3
InChIKeyRYCGXRCDPFNINP-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.83
Rot. Bonds1

About 8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one

8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 62741010) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID62741010
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCc1ccc(N2C3CCC2CC(=O)C3)cc1F
InChIInChI=1S/C14H16FNO/c1-9-2-3-12(8-14(9)15)16-10-4-5-11(16)7-13(17)6-10/h2-3,8,10-11H,4-7H2,1H3
InChIKeyRYCGXRCDPFNINP-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one (CID 62741010) is 8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one is Cc1ccc(N2C3CCC2CC(=O)C3)cc1F.
What is the InChIKey of 8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is RYCGXRCDPFNINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-9-2-3-12(8-14(9)15)16-10-4-5-11(16)7-13(17)6-10/h2-3,8,10-11H,4-7H2,1H3.
What are the key properties of 8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one?
8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 233.29 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 62741010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).