1-[3-bromo-2-(difluoromethyl)-4-ethoxyphenyl]ethanone

C11H11BrF2O2 — CID 171001079

IUPAC1-[3-bromo-2-(difluoromethyl)-4-ethoxyphenyl]ethanone
SMILESCCOc1ccc(C(C)=O)c(C(F)F)c1Br
InChIInChI=1S/C11H11BrF2O2/c1-3-16-8-5-4-7(6(2)15)9(10(8)12)11(13)14/h4-5,11H,3H2,1-2H3
InChIKeyIOKWYCXAFBZGMT-UHFFFAOYSA-N
MW293.11 g/mol
LogP3.99
Rot. Bonds4

About 1-[3-bromo-2-(difluoromethyl)-4-ethoxyphenyl]ethanone

1-[3-bromo-2-(difluoromethyl)-4-ethoxyphenyl]ethanone (PubChem CID 171001079) has the molecular formula C11H11BrF2O2 and a molecular weight of 293.11 g/mol. Its IUPAC name is 1-[3-bromo-2-(difluoromethyl)-4-ethoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-bromo-2-(difluoromethyl)-4-ethoxyphenyl]ethanone
PubChem CID171001079
Molecular FormulaC11H11BrF2O2
Molecular Weight293.11 g/mol
Exact Mass291.99
IUPAC Name1-[3-bromo-2-(difluoromethyl)-4-ethoxyphenyl]ethanone
SMILESCCOc1ccc(C(C)=O)c(C(F)F)c1Br
InChIInChI=1S/C11H11BrF2O2/c1-3-16-8-5-4-7(6(2)15)9(10(8)12)11(13)14/h4-5,11H,3H2,1-2H3
InChIKeyIOKWYCXAFBZGMT-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone
CID 171001298
1-[3-bromo-2-(difluoromethyl)-4-iodophenyl]ethanone
CID 171000142
1-[3-bromo-4-(difluoromethyl)-5-ethoxyphenyl]ethanone
CID 171001122
1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone
CID 171002747
1-[4-bromo-3-(difluoromethyl)-5-ethoxyphenyl]ethanone
CID 171001045
1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone
CID 130752787
1-[2,3-dibromo-4-(difluoromethyl)phenyl]ethanone
CID 171010271
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
1-(4-ethoxy-3-iodo-2-methylphenyl)ethanone
CID 171012647
1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone
CID 171032429
[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-(4-propylcyclohexyl)methanone
CID 118287310
1-(5-bromo-2,4-diethoxyphenyl)ethanone
CID 17245123

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(difluoromethyl)-4-ethoxyphenyl]ethanone?
The IUPAC name of 1-[3-bromo-2-(difluoromethyl)-4-ethoxyphenyl]ethanone (CID 171001079) is 1-[3-bromo-2-(difluoromethyl)-4-ethoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-bromo-2-(difluoromethyl)-4-ethoxyphenyl]ethanone?
The canonical SMILES for 1-[3-bromo-2-(difluoromethyl)-4-ethoxyphenyl]ethanone is CCOc1ccc(C(C)=O)c(C(F)F)c1Br.
What is the InChIKey of 1-[3-bromo-2-(difluoromethyl)-4-ethoxyphenyl]ethanone?
The InChIKey is IOKWYCXAFBZGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2O2/c1-3-16-8-5-4-7(6(2)15)9(10(8)12)11(13)14/h4-5,11H,3H2,1-2H3.
What are the key properties of 1-[3-bromo-2-(difluoromethyl)-4-ethoxyphenyl]ethanone?
1-[3-bromo-2-(difluoromethyl)-4-ethoxyphenyl]ethanone has a molecular weight of 293.11 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-(difluoromethyl)-4-ethoxyphenyl]ethanone is sourced from PubChem (CID 171001079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).