5-bromo-1-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)benzene

C9H7BrClF3O2 — CID 156514394

IUPAC5-bromo-1-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)benzene
SMILESCOc1c(Cl)cc(Br)cc1OCC(F)(F)F
InChIInChI=1S/C9H7BrClF3O2/c1-15-8-6(11)2-5(10)3-7(8)16-4-9(12,13)14/h2-3H,4H2,1H3
InChIKeyGMACNARPMLUYAJ-UHFFFAOYSA-N
MW319.50 g/mol
LogP4.05
Rot. Bonds3

About 5-bromo-1-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)benzene

5-bromo-1-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)benzene (PubChem CID 156514394) has the molecular formula C9H7BrClF3O2 and a molecular weight of 319.50 g/mol. Its IUPAC name is 5-bromo-1-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name5-bromo-1-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)benzene
PubChem CID156514394
Molecular FormulaC9H7BrClF3O2
Molecular Weight319.50 g/mol
Exact Mass317.93
IUPAC Name5-bromo-1-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)benzene
SMILESCOc1c(Cl)cc(Br)cc1OCC(F)(F)F
InChIInChI=1S/C9H7BrClF3O2/c1-15-8-6(11)2-5(10)3-7(8)16-4-9(12,13)14/h2-3H,4H2,1H3
InChIKeyGMACNARPMLUYAJ-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene
CID 68757966
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CID 43164412
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CID 155923682
5-bromo-1-chloro-2-ethoxy-3-propoxybenzene
CID 125116272
3-bromo-5-methoxy-4-(2,2,2-trifluoroethoxy)benzoic acid
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5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene
CID 75486221
2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine
CID 169336505
5-bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one
CID 118022724
5-bromo-1-chloro-2-ethyl-3-methoxybenzene
CID 84707034
(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 102946643
4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene
CID 155928749
5-chloro-1-(chloromethyl)-3-methoxy-2-(2,2,2-trifluoroethoxy)benzene
CID 104666188

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 5-bromo-1-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)benzene (CID 156514394) is 5-bromo-1-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 5-bromo-1-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 5-bromo-1-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)benzene is COc1c(Cl)cc(Br)cc1OCC(F)(F)F.
What is the InChIKey of 5-bromo-1-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is GMACNARPMLUYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClF3O2/c1-15-8-6(11)2-5(10)3-7(8)16-4-9(12,13)14/h2-3H,4H2,1H3.
What are the key properties of 5-bromo-1-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)benzene?
5-bromo-1-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 319.50 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 156514394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).