1-bromo-4-[1-(2,2,2-trifluoroethoxy)ethyl]benzene

C10H10BrF3O — CID 15049498

IUPAC1-bromo-4-[1-(2,2,2-trifluoroethoxy)ethyl]benzene
SMILESCC(OCC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrF3O/c1-7(15-6-10(12,13)14)8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3
InChIKeyCLFSPBHAOOXOMD-UHFFFAOYSA-N
MW283.09 g/mol
LogP4.09
Rot. Bonds3

About 1-bromo-4-[1-(2,2,2-trifluoroethoxy)ethyl]benzene

1-bromo-4-[1-(2,2,2-trifluoroethoxy)ethyl]benzene (PubChem CID 15049498) has the molecular formula C10H10BrF3O and a molecular weight of 283.09 g/mol. Its IUPAC name is 1-bromo-4-[1-(2,2,2-trifluoroethoxy)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[1-(2,2,2-trifluoroethoxy)ethyl]benzene
PubChem CID15049498
Molecular FormulaC10H10BrF3O
Molecular Weight283.09 g/mol
Exact Mass281.99
IUPAC Name1-bromo-4-[1-(2,2,2-trifluoroethoxy)ethyl]benzene
SMILESCC(OCC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrF3O/c1-7(15-6-10(12,13)14)8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3
InChIKeyCLFSPBHAOOXOMD-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 119460
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4-Bromo-alpha-ethylbenzenemethanol
CID 107290
2-(3-Bromophenyl)oxirane
CID 147193
2-(4-Bromophenyl)-2-methyl-1,3-dioxolane
CID 614920
1-Bromo-4-(dimethoxymethyl)benzene
CID 688342
(1S)-1-(4-bromophenyl)ethan-1-ol
CID 2734890
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
1-(4-Bromophenyl)-2,2,2-trifluoroethanol
CID 11219024
(2S)-2-(4-bromophenyl)oxirane
CID 12163514
4-Bromobenzyl methyl ether
CID 12662296

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-(2,2,2-trifluoroethoxy)ethyl]benzene?
The IUPAC name of 1-bromo-4-[1-(2,2,2-trifluoroethoxy)ethyl]benzene (CID 15049498) is 1-bromo-4-[1-(2,2,2-trifluoroethoxy)ethyl]benzene.
What is the SMILES notation for 1-bromo-4-[1-(2,2,2-trifluoroethoxy)ethyl]benzene?
The canonical SMILES for 1-bromo-4-[1-(2,2,2-trifluoroethoxy)ethyl]benzene is CC(OCC(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[1-(2,2,2-trifluoroethoxy)ethyl]benzene?
The InChIKey is CLFSPBHAOOXOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O/c1-7(15-6-10(12,13)14)8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3.
What are the key properties of 1-bromo-4-[1-(2,2,2-trifluoroethoxy)ethyl]benzene?
1-bromo-4-[1-(2,2,2-trifluoroethoxy)ethyl]benzene has a molecular weight of 283.09 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-(2,2,2-trifluoroethoxy)ethyl]benzene is sourced from PubChem (CID 15049498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).