2,4-dibromo-N-(4,4,4-trifluorobutyl)aniline

C10H10Br2F3N — CID 115513613

IUPAC2,4-dibromo-N-(4,4,4-trifluorobutyl)aniline
SMILESFC(F)(F)CCCNc1ccc(Br)cc1Br
InChIInChI=1S/C10H10Br2F3N/c11-7-2-3-9(8(12)6-7)16-5-1-4-10(13,14)15/h2-3,6,16H,1,4-5H2
InChIKeyAMNLTFBZEDRQKS-UHFFFAOYSA-N
MW361.00 g/mol
LogP4.97
Rot. Bonds4

About 2,4-dibromo-N-(4,4,4-trifluorobutyl)aniline

2,4-dibromo-N-(4,4,4-trifluorobutyl)aniline (PubChem CID 115513613) has the molecular formula C10H10Br2F3N and a molecular weight of 361.00 g/mol. Its IUPAC name is 2,4-dibromo-N-(4,4,4-trifluorobutyl)aniline.

Molecular Properties

Compound Name2,4-dibromo-N-(4,4,4-trifluorobutyl)aniline
PubChem CID115513613
Molecular FormulaC10H10Br2F3N
Molecular Weight361.00 g/mol
Exact Mass358.91
IUPAC Name2,4-dibromo-N-(4,4,4-trifluorobutyl)aniline
SMILESFC(F)(F)CCCNc1ccc(Br)cc1Br
InChIInChI=1S/C10H10Br2F3N/c11-7-2-3-9(8(12)6-7)16-5-1-4-10(13,14)15/h2-3,6,16H,1,4-5H2
InChIKeyAMNLTFBZEDRQKS-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.00
LogP ≤ 54.97
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-N-(4,4,4-trifluorobutyl)-2-(trifluoromethyl)aniline
CID 115513559
4-bromo-2-N-(4,4,4-trifluorobutyl)benzene-1,2-diamine
CID 115515448
2-bromo-1-N-(5,5,5-trifluoropentyl)benzene-1,4-diamine
CID 115515595
2-bromo-4-(trifluoromethyl)-N-(5,5,5-trifluoropentyl)aniline
CID 115520630
5-bromo-2-(trifluoromethyl)-N-(5,5,5-trifluoropentyl)aniline
CID 107286470
4-bromo-2-(4,4,4-trifluorobutylamino)benzoic acid
CID 114907470
3-bromo-N-(4,4,4-trifluorobutyl)aniline
CID 115513477
4-bromo-2-methyl-N-(3,3,3-trifluoropropyl)aniline
CID 64554167
2,4,6-tribromo-N-(3,3,3-trifluoropropyl)aniline
CID 64554200
5-bromo-4-fluoro-2-nitro-N-(4,4,4-trifluorobutyl)aniline
CID 116737267
4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline
CID 113326312
5-bromo-N-(4,4,4-trifluorobutyl)-1,3-benzothiazol-2-amine
CID 115520932

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(4,4,4-trifluorobutyl)aniline?
The IUPAC name of 2,4-dibromo-N-(4,4,4-trifluorobutyl)aniline (CID 115513613) is 2,4-dibromo-N-(4,4,4-trifluorobutyl)aniline.
What is the SMILES notation for 2,4-dibromo-N-(4,4,4-trifluorobutyl)aniline?
The canonical SMILES for 2,4-dibromo-N-(4,4,4-trifluorobutyl)aniline is FC(F)(F)CCCNc1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(4,4,4-trifluorobutyl)aniline?
The InChIKey is AMNLTFBZEDRQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2F3N/c11-7-2-3-9(8(12)6-7)16-5-1-4-10(13,14)15/h2-3,6,16H,1,4-5H2.
What are the key properties of 2,4-dibromo-N-(4,4,4-trifluorobutyl)aniline?
2,4-dibromo-N-(4,4,4-trifluorobutyl)aniline has a molecular weight of 361.00 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(4,4,4-trifluorobutyl)aniline is sourced from PubChem (CID 115513613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).