1-(3-fluorophenyl)-1-propoxypropan-2-one

C12H15FO2 — CID 83226536

IUPAC1-(3-fluorophenyl)-1-propoxypropan-2-one
SMILESCCCOC(C(C)=O)c1cccc(F)c1
InChIInChI=1S/C12H15FO2/c1-3-7-15-12(9(2)14)10-5-4-6-11(13)8-10/h4-6,8,12H,3,7H2,1-2H3
InChIKeyWDZLIQYPJAYAGJ-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.88
Rot. Bonds5

About 1-(3-fluorophenyl)-1-propoxypropan-2-one

1-(3-fluorophenyl)-1-propoxypropan-2-one (PubChem CID 83226536) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-propoxypropan-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-propoxypropan-2-one
PubChem CID83226536
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name1-(3-fluorophenyl)-1-propoxypropan-2-one
SMILESCCCOC(C(C)=O)c1cccc(F)c1
InChIInChI=1S/C12H15FO2/c1-3-7-15-12(9(2)14)10-5-4-6-11(13)8-10/h4-6,8,12H,3,7H2,1-2H3
InChIKeyWDZLIQYPJAYAGJ-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-2-propoxyacetic acid
CID 83224812
1-(3-methylphenyl)-1-propoxypropan-2-one
CID 83225723
2-ethoxy-2-(3-fluorophenyl)acetic acid
CID 68560749
1-(3-chloro-4-hydroxyphenyl)-1-propoxypropan-2-one
CID 83225100
ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate
CID 171865537
1-amino-1-(3-fluorophenyl)propan-2-one
CID 55295099
ethyl 2-diethoxyphosphoryl-2-(3-fluorophenyl)acetate
CID 19920663
1-(3-chlorophenyl)-1-ethoxypropan-2-one
CID 83225095
2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid
CID 83224609
methyl 2-aminooxy-2-(3-fluorophenyl)acetate
CID 105451939
2-(3-ethoxyphenyl)-2-propoxyacetic acid
CID 83224813
1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105078293

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-propoxypropan-2-one?
The IUPAC name of 1-(3-fluorophenyl)-1-propoxypropan-2-one (CID 83226536) is 1-(3-fluorophenyl)-1-propoxypropan-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-1-propoxypropan-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-1-propoxypropan-2-one is CCCOC(C(C)=O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-1-propoxypropan-2-one?
The InChIKey is WDZLIQYPJAYAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-3-7-15-12(9(2)14)10-5-4-6-11(13)8-10/h4-6,8,12H,3,7H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-1-propoxypropan-2-one?
1-(3-fluorophenyl)-1-propoxypropan-2-one has a molecular weight of 210.25 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-propoxypropan-2-one is sourced from PubChem (CID 83226536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).