1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine

C13H16Br2F3N — CID 107946545

IUPAC1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1ccc(Br)cc1Br
InChIInChI=1S/C13H16Br2F3N/c1-2-19-12(4-3-7-13(16,17)18)10-6-5-9(14)8-11(10)15/h5-6,8,12,19H,2-4,7H2,1H3
InChIKeyKZGRFLILSCBUQJ-UHFFFAOYSA-N
MW403.08 g/mol
LogP5.59
Rot. Bonds6

About 1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine

1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine (PubChem CID 107946545) has the molecular formula C13H16Br2F3N and a molecular weight of 403.08 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
PubChem CID107946545
Molecular FormulaC13H16Br2F3N
Molecular Weight403.08 g/mol
Exact Mass400.96
IUPAC Name1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1ccc(Br)cc1Br
InChIInChI=1S/C13H16Br2F3N/c1-2-19-12(4-3-7-13(16,17)18)10-6-5-9(14)8-11(10)15/h5-6,8,12,19H,2-4,7H2,1H3
InChIKeyKZGRFLILSCBUQJ-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.08
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105023825
1-(4-bromo-2-methoxyphenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024137
1-(2,4-dibromophenyl)-N-ethylnonan-1-amine
CID 107945403
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 113326940
1-(2,5-dibromophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024009
1-(4-bromo-2-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024035
1-(2-bromo-3,4-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 107539337
1-(3-bromo-2-chlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024138
1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine
CID 107945979
1-(2,4-dibromophenyl)-N-propylheptan-1-amine
CID 107945392
1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine
CID 107946286
1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine
CID 114906644

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine (CID 107946545) is 1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine is CCNC(CCCC(F)(F)F)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
The InChIKey is KZGRFLILSCBUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2F3N/c1-2-19-12(4-3-7-13(16,17)18)10-6-5-9(14)8-11(10)15/h5-6,8,12,19H,2-4,7H2,1H3.
What are the key properties of 1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine has a molecular weight of 403.08 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 107946545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).