1-(3-chloro-4-fluorophenyl)-3-ethoxypropan-2-one

C11H12ClFO2 — CID 103039406

IUPAC1-(3-chloro-4-fluorophenyl)-3-ethoxypropan-2-one
SMILESCCOCC(=O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H12ClFO2/c1-2-15-7-9(14)5-8-3-4-11(13)10(12)6-8/h3-4,6H,2,5,7H2,1H3
InChIKeyRCYUOPOYHWTBNB-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.63
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-3-ethoxypropan-2-one

1-(3-chloro-4-fluorophenyl)-3-ethoxypropan-2-one (PubChem CID 103039406) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-ethoxypropan-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-ethoxypropan-2-one
PubChem CID103039406
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-ethoxypropan-2-one
SMILESCCOCC(=O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H12ClFO2/c1-2-15-7-9(14)5-8-3-4-11(13)10(12)6-8/h3-4,6H,2,5,7H2,1H3
InChIKeyRCYUOPOYHWTBNB-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-ethoxypropan-2-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-ethoxypropan-2-one (CID 103039406) is 1-(3-chloro-4-fluorophenyl)-3-ethoxypropan-2-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-ethoxypropan-2-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-ethoxypropan-2-one is CCOCC(=O)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-ethoxypropan-2-one?
The InChIKey is RCYUOPOYHWTBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c1-2-15-7-9(14)5-8-3-4-11(13)10(12)6-8/h3-4,6H,2,5,7H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-ethoxypropan-2-one?
1-(3-chloro-4-fluorophenyl)-3-ethoxypropan-2-one has a molecular weight of 230.67 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-ethoxypropan-2-one is sourced from PubChem (CID 103039406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).