1-(4-ethoxy-3-fluorophenyl)propan-2-one

C11H13FO2 — CID 82491351

IUPAC1-(4-ethoxy-3-fluorophenyl)propan-2-one
SMILESCCOc1ccc(CC(C)=O)cc1F
InChIInChI=1S/C11H13FO2/c1-3-14-11-5-4-9(6-8(2)13)7-10(11)12/h4-5,7H,3,6H2,1-2H3
InChIKeyBSPAZOLSHIEFFN-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.36
Rot. Bonds4

About 1-(4-ethoxy-3-fluorophenyl)propan-2-one

1-(4-ethoxy-3-fluorophenyl)propan-2-one (PubChem CID 82491351) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-(4-ethoxy-3-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-ethoxy-3-fluorophenyl)propan-2-one
PubChem CID82491351
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name1-(4-ethoxy-3-fluorophenyl)propan-2-one
SMILESCCOc1ccc(CC(C)=O)cc1F
InChIInChI=1S/C11H13FO2/c1-3-14-11-5-4-9(6-8(2)13)7-10(11)12/h4-5,7H,3,6H2,1-2H3
InChIKeyBSPAZOLSHIEFFN-UHFFFAOYSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-3-amino-2-[(4-ethoxy-3-fluorophenyl)methyl]but-2-enamide
CID 143395734
1-(3-amino-4-ethoxyphenyl)propan-2-one
CID 54371004
N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide
CID 96673990
4-[2-(4-ethoxy-3-fluorophenyl)ethyl-methylamino]butan-2-one
CID 115236051
1-(4-ethyl-3-fluorophenyl)propan-2-one
CID 118824683
1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea
CID 110775057
1-[4-ethoxy-3-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 118809816
5-[(4-ethoxy-3-fluorophenyl)methyl-methylamino]pentan-2-one
CID 115236597
4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 95447270
2-[(4-ethoxy-3-fluorophenyl)methyl-methylamino]-2-oxoacetic acid
CID 115141390
2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide
CID 115259899
2-amino-4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 112518372

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-fluorophenyl)propan-2-one?
The IUPAC name of 1-(4-ethoxy-3-fluorophenyl)propan-2-one (CID 82491351) is 1-(4-ethoxy-3-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(4-ethoxy-3-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(4-ethoxy-3-fluorophenyl)propan-2-one is CCOc1ccc(CC(C)=O)cc1F.
What is the InChIKey of 1-(4-ethoxy-3-fluorophenyl)propan-2-one?
The InChIKey is BSPAZOLSHIEFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-3-14-11-5-4-9(6-8(2)13)7-10(11)12/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 1-(4-ethoxy-3-fluorophenyl)propan-2-one?
1-(4-ethoxy-3-fluorophenyl)propan-2-one has a molecular weight of 196.22 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-fluorophenyl)propan-2-one is sourced from PubChem (CID 82491351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).