2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone

C17H22FNO — CID 114347355

IUPAC2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCc1cc(F)ccc1CC(=O)C1CC2CCC(C1)N2C
InChIInChI=1S/C17H22FNO/c1-11-7-14(18)4-3-12(11)10-17(20)13-8-15-5-6-16(9-13)19(15)2/h3-4,7,13,15-16H,5-6,8-10H2,1-2H3
InChIKeyHXMHPEJCWSPQHD-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.12
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone

2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 114347355) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID114347355
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCc1cc(F)ccc1CC(=O)C1CC2CCC(C1)N2C
InChIInChI=1S/C17H22FNO/c1-11-7-14(18)4-3-12(11)10-17(20)13-8-15-5-6-16(9-13)19(15)2/h3-4,7,13,15-16H,5-6,8-10H2,1-2H3
InChIKeyHXMHPEJCWSPQHD-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 105373360
2-(4-fluoro-2-methylphenyl)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
CID 171948131
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347164
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 171948121
2-(4-fluoro-2-methylphenyl)-1-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)ethanone
CID 171948128
1-(3-ethylcyclopentyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347257
(4-fluoro-2-methylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945077
2-[2-(difluoromethoxy)phenyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 171949110
[2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine
CID 105265865
2-(2-bromo-3-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 115997800
2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 115997761
3-(3-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 171948236

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone (CID 114347355) is 2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone is Cc1cc(F)ccc1CC(=O)C1CC2CCC(C1)N2C.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is HXMHPEJCWSPQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-11-7-14(18)4-3-12(11)10-17(20)13-8-15-5-6-16(9-13)19(15)2/h3-4,7,13,15-16H,5-6,8-10H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 275.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone is sourced from PubChem (CID 114347355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).