1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

C11H11BrClF4NO — CID 103207983

IUPAC1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C11H11BrClF4NO/c1-18-10(4-19-5-11(15,16)17)6-2-8(13)7(12)3-9(6)14/h2-3,10,18H,4-5H2,1H3
InChIKeyVYOSYMJTWKLLPO-UHFFFAOYSA-N
MW364.56 g/mol
LogP4.08
Rot. Bonds5

About 1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103207983) has the molecular formula C11H11BrClF4NO and a molecular weight of 364.56 g/mol. Its IUPAC name is 1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103207983
Molecular FormulaC11H11BrClF4NO
Molecular Weight364.56 g/mol
Exact Mass362.96
IUPAC Name1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C11H11BrClF4NO/c1-18-10(4-19-5-11(15,16)17)6-2-8(13)7(12)3-9(6)14/h2-3,10,18H,4-5H2,1H3
InChIKeyVYOSYMJTWKLLPO-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-difluoro-4-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103746481
1-(2,4-difluoro-5-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207699
1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207255
1-(4-bromo-2,5-difluorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207615
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207667
1-(4-bromo-5-chloro-2-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 105399185
1-(4-bromo-5-chloro-2-fluorophenyl)-N,2,2-trimethylpropan-1-amine
CID 105398791
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 105398790
1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215329
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 105398845
1-(3-bromo-4-propoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207950
1-(4-bromo-5-chloro-2-fluorophenyl)-N-ethylbutan-1-amine
CID 105398979

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103207983) is 1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)c1cc(Cl)c(Br)cc1F.
What is the InChIKey of 1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is VYOSYMJTWKLLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClF4NO/c1-18-10(4-19-5-11(15,16)17)6-2-8(13)7(12)3-9(6)14/h2-3,10,18H,4-5H2,1H3.
What are the key properties of 1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 364.56 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103207983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).