1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone

C10H10BrFO — CID 117363982

IUPAC1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone
SMILESCCc1cc(C(C)=O)cc(Br)c1F
InChIInChI=1S/C10H10BrFO/c1-3-7-4-8(6(2)13)5-9(11)10(7)12/h4-5H,3H2,1-2H3
InChIKeyBQROCIIAWMXPPR-UHFFFAOYSA-N
MW245.09 g/mol
LogP3.35
Rot. Bonds2

About 1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone

1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone (PubChem CID 117363982) has the molecular formula C10H10BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is 1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone
PubChem CID117363982
Molecular FormulaC10H10BrFO
Molecular Weight245.09 g/mol
Exact Mass243.99
IUPAC Name1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone
SMILESCCc1cc(C(C)=O)cc(Br)c1F
InChIInChI=1S/C10H10BrFO/c1-3-7-4-8(6(2)13)5-9(11)10(7)12/h4-5H,3H2,1-2H3
InChIKeyBQROCIIAWMXPPR-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone
CID 117289595
1-(3-bromo-5-ethoxy-4-fluorophenyl)ethanone
CID 171000856
4-(3-bromo-5-ethyl-4-fluorophenyl)butanoic acid
CID 117466926
3-(3-bromo-5-ethyl-4-fluorophenyl)-2-methylpropanoic acid
CID 117466920
1-[3-(aminomethyl)-5-bromo-4-hydroxyphenyl]ethanone
CID 14014489
1-(3-bromo-5-fluoro-4-iodophenyl)ethanone
CID 171002379
1-(3,5-dibromo-2,6-difluorophenyl)ethanone
CID 131033339
3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine
CID 117404097
1-(3-bromo-2-fluoro-5-methylphenyl)propan-2-one
CID 84704825
1-(3-bromo-5-ethyl-4-fluorophenyl)ethanamine
CID 117367070
1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone
CID 131626156
1-[4-bromo-3-(hydroxymethyl)phenyl]ethanone
CID 118573514

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone?
The IUPAC name of 1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone (CID 117363982) is 1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone is CCc1cc(C(C)=O)cc(Br)c1F.
What is the InChIKey of 1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone?
The InChIKey is BQROCIIAWMXPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO/c1-3-7-4-8(6(2)13)5-9(11)10(7)12/h4-5H,3H2,1-2H3.
What are the key properties of 1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone?
1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone has a molecular weight of 245.09 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone is sourced from PubChem (CID 117363982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).