2,4,5-trifluoro-N-(3-methylbut-2-enyl)aniline

C11H12F3N — CID 107899900

IUPAC2,4,5-trifluoro-N-(3-methylbut-2-enyl)aniline
SMILESCC(C)=CCNc1cc(F)c(F)cc1F
InChIInChI=1S/C11H12F3N/c1-7(2)3-4-15-11-6-9(13)8(12)5-10(11)14/h3,5-6,15H,4H2,1-2H3
InChIKeyDPJOQYRFDJXLLN-UHFFFAOYSA-N
MW215.22 g/mol
LogP3.48
Rot. Bonds3

About 2,4,5-trifluoro-N-(3-methylbut-2-enyl)aniline

2,4,5-trifluoro-N-(3-methylbut-2-enyl)aniline (PubChem CID 107899900) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 2,4,5-trifluoro-N-(3-methylbut-2-enyl)aniline.

Molecular Properties

Compound Name2,4,5-trifluoro-N-(3-methylbut-2-enyl)aniline
PubChem CID107899900
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name2,4,5-trifluoro-N-(3-methylbut-2-enyl)aniline
SMILESCC(C)=CCNc1cc(F)c(F)cc1F
InChIInChI=1S/C11H12F3N/c1-7(2)3-4-15-11-6-9(13)8(12)5-10(11)14/h3,5-6,15H,4H2,1-2H3
InChIKeyDPJOQYRFDJXLLN-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-methyl-4-(2,4,5-trifluoroanilino)but-2-enoic acid
CID 103249547
4-chloro-5-fluoro-2-N-(3-methylbut-2-enyl)benzene-1,2-diamine
CID 106182472
4-fluoro-2-methyl-N-(3-methylbut-2-enyl)aniline
CID 103604424
4-fluoro-1-N-(3-methylbut-2-enyl)benzene-1,2-diamine
CID 106182061
5-fluoro-2-(3-methylbut-2-enylamino)benzoic acid
CID 106197911
3-bromo-4-fluoro-N-(3-methylbut-2-enyl)aniline
CID 107900308
2,4-dimethyl-N-(3-methylbut-2-enyl)aniline
CID 103604357
2,4-dibromo-N-(3-methylbut-2-enyl)aniline
CID 107899791
2-N-(3-methylbut-2-enyl)benzene-1,2-diamine
CID 106182311
2-fluoro-5-(3-methylbut-2-enylamino)benzonitrile
CID 107899874
2-fluoro-4-(3-methylbut-2-enylamino)benzoic acid
CID 106197924
2-fluoro-4-(3-methylbut-2-enylamino)benzonitrile
CID 106188986

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-N-(3-methylbut-2-enyl)aniline?
The IUPAC name of 2,4,5-trifluoro-N-(3-methylbut-2-enyl)aniline (CID 107899900) is 2,4,5-trifluoro-N-(3-methylbut-2-enyl)aniline.
What is the SMILES notation for 2,4,5-trifluoro-N-(3-methylbut-2-enyl)aniline?
The canonical SMILES for 2,4,5-trifluoro-N-(3-methylbut-2-enyl)aniline is CC(C)=CCNc1cc(F)c(F)cc1F.
What is the InChIKey of 2,4,5-trifluoro-N-(3-methylbut-2-enyl)aniline?
The InChIKey is DPJOQYRFDJXLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c1-7(2)3-4-15-11-6-9(13)8(12)5-10(11)14/h3,5-6,15H,4H2,1-2H3.
What are the key properties of 2,4,5-trifluoro-N-(3-methylbut-2-enyl)aniline?
2,4,5-trifluoro-N-(3-methylbut-2-enyl)aniline has a molecular weight of 215.22 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-N-(3-methylbut-2-enyl)aniline is sourced from PubChem (CID 107899900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).