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

C10H10BrFO2 — CID 171000856

IUPAC1-(3-bromo-5-ethoxy-4-fluorophenyl)ethanone
SMILESCCOc1cc(C(C)=O)cc(Br)c1F
InChIInChI=1S/C10H10BrFO2/c1-3-14-9-5-7(6(2)13)4-8(11)10(9)12/h4-5H,3H2,1-2H3
InChIKeyORWFUVIMCPHOTD-UHFFFAOYSA-N
MW261.09 g/mol
LogP3.19
Rot. Bonds3

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

1-(3-bromo-5-ethoxy-4-fluorophenyl)ethanone (PubChem CID 171000856) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 1-(3-bromo-5-ethoxy-4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-5-ethoxy-4-fluorophenyl)ethanone
PubChem CID171000856
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name1-(3-bromo-5-ethoxy-4-fluorophenyl)ethanone
SMILESCCOc1cc(C(C)=O)cc(Br)c1F
InChIInChI=1S/C10H10BrFO2/c1-3-14-9-5-7(6(2)13)4-8(11)10(9)12/h4-5H,3H2,1-2H3
InChIKeyORWFUVIMCPHOTD-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-(difluoromethyl)-5-ethoxyphenyl]ethanone
CID 171001122
4-acetyl-2-bromo-6-ethoxybenzaldehyde
CID 171001177
1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone
CID 117363982
1-(4-acetyl-3,5-diethoxyphenyl)ethanone
CID 155595563
1-[4-bromo-3-(difluoromethyl)-5-ethoxyphenyl]ethanone
CID 171001045
6-bromo-4-ethoxy-2,3-difluorophenol
CID 84707726
1-(5-bromo-2,4-diethoxyphenyl)ethanone
CID 17245123
1-[3-ethoxy-5-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 171017057
1-[4-amino-3-(difluoromethyl)-5-ethoxyphenyl]ethanone
CID 171028104
1-[3,5-diethoxy-4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]ethanone
CID 155595614
4-bromo-2-ethoxy-5-fluorobenzoic acid
CID 130090927
3-chloro-5-ethoxy-4-fluorobenzoic acid
CID 164895505

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-ethoxy-4-fluorophenyl)ethanone?
The IUPAC name of 1-(3-bromo-5-ethoxy-4-fluorophenyl)ethanone (CID 171000856) is 1-(3-bromo-5-ethoxy-4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-5-ethoxy-4-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-bromo-5-ethoxy-4-fluorophenyl)ethanone is CCOc1cc(C(C)=O)cc(Br)c1F.
What is the InChIKey of 1-(3-bromo-5-ethoxy-4-fluorophenyl)ethanone?
The InChIKey is ORWFUVIMCPHOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-3-14-9-5-7(6(2)13)4-8(11)10(9)12/h4-5H,3H2,1-2H3.
What are the key properties of 1-(3-bromo-5-ethoxy-4-fluorophenyl)ethanone?
1-(3-bromo-5-ethoxy-4-fluorophenyl)ethanone has a molecular weight of 261.09 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-ethoxy-4-fluorophenyl)ethanone is sourced from PubChem (CID 171000856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).