1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone

C10H8BrF3O2 — CID 81429202

IUPAC1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone
SMILESCCOc1ccc(C(=O)C(F)(F)F)c(Br)c1
InChIInChI=1S/C10H8BrF3O2/c1-2-16-6-3-4-7(8(11)5-6)9(15)10(12,13)14/h3-5H,2H2,1H3
InChIKeyCWGYDECPAVEMSZ-UHFFFAOYSA-N
MW297.07 g/mol
LogP3.59
Rot. Bonds3

About 1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone

1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone (PubChem CID 81429202) has the molecular formula C10H8BrF3O2 and a molecular weight of 297.07 g/mol. Its IUPAC name is 1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone
PubChem CID81429202
Molecular FormulaC10H8BrF3O2
Molecular Weight297.07 g/mol
Exact Mass295.97
IUPAC Name1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone
SMILESCCOc1ccc(C(=O)C(F)(F)F)c(Br)c1
InChIInChI=1S/C10H8BrF3O2/c1-2-16-6-3-4-7(8(11)5-6)9(15)10(12,13)14/h3-5H,2H2,1H3
InChIKeyCWGYDECPAVEMSZ-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-diethoxyphenyl)-2,2,2-trifluoroethanone
CID 83952962
3-bromo-1-(2-bromo-4-ethoxyphenyl)propan-1-one
CID 134624468
1-(2-bromo-4-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206758
2-bromo-N,4-diethoxybenzamide
CID 90850179
(2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107949965
1-(2-bromo-4-ethoxyphenyl)prop-2-en-1-one
CID 103522548
1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one
CID 83154667
(2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone
CID 114819681
(2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone
CID 81471764
(2-bromo-4-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone
CID 81454699
1-(2-bromo-4-ethoxyphenyl)-2-cycloheptylethanone
CID 114457392
2,2-dibromo-1-(2,4-diethoxyphenyl)ethanone
CID 166607863

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone (CID 81429202) is 1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone is CCOc1ccc(C(=O)C(F)(F)F)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone?
The InChIKey is CWGYDECPAVEMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O2/c1-2-16-6-3-4-7(8(11)5-6)9(15)10(12,13)14/h3-5H,2H2,1H3.
What are the key properties of 1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone?
1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone has a molecular weight of 297.07 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 81429202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).