4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline

C10H9BrCl2F3N — CID 113326312

IUPAC4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline
SMILESFC(F)(F)CCCNc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H9BrCl2F3N/c11-6-4-7(12)9(8(13)5-6)17-3-1-2-10(14,15)16/h4-5,17H,1-3H2
InChIKeyCERIRAVRYLEKHL-UHFFFAOYSA-N
MW350.99 g/mol
LogP5.51
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline

4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline (PubChem CID 113326312) has the molecular formula C10H9BrCl2F3N and a molecular weight of 350.99 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline
PubChem CID113326312
Molecular FormulaC10H9BrCl2F3N
Molecular Weight350.99 g/mol
Exact Mass348.92
IUPAC Name4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline
SMILESFC(F)(F)CCCNc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H9BrCl2F3N/c11-6-4-7(12)9(8(13)5-6)17-3-1-2-10(14,15)16/h4-5,17H,1-3H2
InChIKeyCERIRAVRYLEKHL-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.99
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2,6-dichloro-N-pentylaniline
CID 28992958
4-(4-bromo-2,6-dichloroanilino)-2-methylbutan-2-ol
CID 79361423
3-bromo-5-methyl-N-(4,4,4-trifluorobutyl)aniline
CID 107583136
4-bromo-2,6-dichloro-N-(4-methylsulfanylbutyl)aniline
CID 103087339
2,4,6-tribromo-N-(3,3,3-trifluoropropyl)aniline
CID 64554200
4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline
CID 65175213
3-bromo-N-(4,4,4-trifluorobutyl)aniline
CID 115513477
4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 63487853
2-chloro-N-(4,4,4-trifluorobutyl)aniline
CID 115513479
2,4-dibromo-N-(4,4,4-trifluorobutyl)aniline
CID 115513613
4-chloro-3-fluoro-N-(4,4,4-trifluorobutyl)aniline
CID 115513611
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 82774647

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline (CID 113326312) is 4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline is FC(F)(F)CCCNc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline?
The InChIKey is CERIRAVRYLEKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl2F3N/c11-6-4-7(12)9(8(13)5-6)17-3-1-2-10(14,15)16/h4-5,17H,1-3H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline?
4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline has a molecular weight of 350.99 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline is sourced from PubChem (CID 113326312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).