(4-fluorophenyl)-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl]methanone

C15H18FNO — CID 67479714

IUPAC(4-fluorophenyl)-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl]methanone
SMILESCN1[C@@H]2CCC[C@@]1(C(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C15H18FNO/c1-17-13-3-2-9-15(17,10-8-13)14(18)11-4-6-12(16)7-5-11/h4-7,13H,2-3,8-10H2,1H3/t13-,15+/m1/s1
InChIKeyVEAMGPYGHBQJFK-HIFRSBDPSA-N
MW247.31 g/mol
LogP3.03
Rot. Bonds2

About (4-fluorophenyl)-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl]methanone

(4-fluorophenyl)-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl]methanone (PubChem CID 67479714) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is (4-fluorophenyl)-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl]methanone
PubChem CID67479714
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name(4-fluorophenyl)-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl]methanone
SMILESCN1[C@@H]2CCC[C@@]1(C(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C15H18FNO/c1-17-13-3-2-9-15(17,10-8-13)14(18)11-4-6-12(16)7-5-11/h4-7,13H,2-3,8-10H2,1H3/t13-,15+/m1/s1
InChIKeyVEAMGPYGHBQJFK-HIFRSBDPSA-N
XLogP3.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl]methanone (CID 67479714) is (4-fluorophenyl)-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl]methanone is CN1[C@@H]2CCC[C@@]1(C(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of (4-fluorophenyl)-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl]methanone?
The InChIKey is VEAMGPYGHBQJFK-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H18FNO/c1-17-13-3-2-9-15(17,10-8-13)14(18)11-4-6-12(16)7-5-11/h4-7,13H,2-3,8-10H2,1H3/t13-,15+/m1/s1.
What are the key properties of (4-fluorophenyl)-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl]methanone?
(4-fluorophenyl)-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl]methanone has a molecular weight of 247.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl]methanone is sourced from PubChem (CID 67479714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).