1-[5-(1-fluoroethyl)-2-methoxyphenyl]ethanone

C11H13FO2 — CID 84666890

IUPAC1-[5-(1-fluoroethyl)-2-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)F)cc1C(C)=O
InChIInChI=1S/C11H13FO2/c1-7(12)9-4-5-11(14-3)10(6-9)8(2)13/h4-7H,1-3H3
InChIKeyQHYNJXNGBROWSQ-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.93
Rot. Bonds3

About 1-[5-(1-fluoroethyl)-2-methoxyphenyl]ethanone

1-[5-(1-fluoroethyl)-2-methoxyphenyl]ethanone (PubChem CID 84666890) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-[5-(1-fluoroethyl)-2-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[5-(1-fluoroethyl)-2-methoxyphenyl]ethanone
PubChem CID84666890
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name1-[5-(1-fluoroethyl)-2-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)F)cc1C(C)=O
InChIInChI=1S/C11H13FO2/c1-7(12)9-4-5-11(14-3)10(6-9)8(2)13/h4-7H,1-3H3
InChIKeyQHYNJXNGBROWSQ-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-one
CID 134619123
1-[5-[(1R)-1-hydroxyethyl]-2-methoxyphenyl]-3-methylbut-2-en-1-one
CID 162985346
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
1-[5-(difluoromethyl)-2-methoxyphenyl]-2-(methylamino)ethanone
CID 117330012
5-(1-aminoethyl)-2-methoxybenzoic acid
CID 105448790
[5-(difluoromethyl)-2-methoxyphenyl]-pyridin-4-ylmethanone
CID 134627644
3-[5-(1-fluoroethyl)-2-methoxyphenyl]-3-methylbutanoic acid
CID 117389154
methyl 3-acetyl-4-methoxybenzoate
CID 10798398
5-(1-fluoroethyl)-2-methoxy-N-methylaniline
CID 84659165
1-(2-methoxy-5-propan-2-ylphenyl)pentane-1,4-dione
CID 94689449
1-(2-methoxy-5-propan-2-ylphenyl)prop-2-en-1-one
CID 82282797
1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one
CID 84680200

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-fluoroethyl)-2-methoxyphenyl]ethanone?
The IUPAC name of 1-[5-(1-fluoroethyl)-2-methoxyphenyl]ethanone (CID 84666890) is 1-[5-(1-fluoroethyl)-2-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[5-(1-fluoroethyl)-2-methoxyphenyl]ethanone?
The canonical SMILES for 1-[5-(1-fluoroethyl)-2-methoxyphenyl]ethanone is COc1ccc(C(C)F)cc1C(C)=O.
What is the InChIKey of 1-[5-(1-fluoroethyl)-2-methoxyphenyl]ethanone?
The InChIKey is QHYNJXNGBROWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-7(12)9-4-5-11(14-3)10(6-9)8(2)13/h4-7H,1-3H3.
What are the key properties of 1-[5-(1-fluoroethyl)-2-methoxyphenyl]ethanone?
1-[5-(1-fluoroethyl)-2-methoxyphenyl]ethanone has a molecular weight of 196.22 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-fluoroethyl)-2-methoxyphenyl]ethanone is sourced from PubChem (CID 84666890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).