4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline

C13H9F4N — CID 107593669

IUPAC4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline
SMILESCc1cc(F)c(-c2ccc(F)c(F)c2F)cc1N
InChIInChI=1S/C13H9F4N/c1-6-4-10(15)8(5-11(6)18)7-2-3-9(14)13(17)12(7)16/h2-5H,18H2,1H3
InChIKeyXTUIPTFOWYHWKP-UHFFFAOYSA-N
MW255.21 g/mol
LogP3.80
Rot. Bonds1

About 4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline

4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline (PubChem CID 107593669) has the molecular formula C13H9F4N and a molecular weight of 255.21 g/mol. Its IUPAC name is 4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline
PubChem CID107593669
Molecular FormulaC13H9F4N
Molecular Weight255.21 g/mol
Exact Mass255.07
IUPAC Name4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline
SMILESCc1cc(F)c(-c2ccc(F)c(F)c2F)cc1N
InChIInChI=1S/C13H9F4N/c1-6-4-10(15)8(5-11(6)18)7-2-3-9(14)13(17)12(7)16/h2-5H,18H2,1H3
InChIKeyXTUIPTFOWYHWKP-UHFFFAOYSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.21
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-difluorophenyl)-5-fluoro-2-methylaniline
CID 171916628
4-(4-chloro-2-fluorophenyl)-5-fluoro-2-methylaniline
CID 171916633
4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline
CID 107593742
5-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline
CID 107593656
4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline
CID 107593812
4-fluoro-5-(furan-3-yl)-2-methylaniline
CID 107593676
5-chloro-2-(2,5-difluoro-4-methylphenyl)aniline
CID 81274762
1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene
CID 90766512
2-methyl-5-[5-(2,3,4-trifluorophenyl)-1H-1,2,4-triazol-3-yl]aniline
CID 82569359
5-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-amine
CID 107935845
4-fluoro-6-methylbenzene-1,3-diamine;hydrate
CID 141142247
5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline
CID 107593741

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline?
The IUPAC name of 4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline (CID 107593669) is 4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline.
What is the SMILES notation for 4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline?
The canonical SMILES for 4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline is Cc1cc(F)c(-c2ccc(F)c(F)c2F)cc1N.
What is the InChIKey of 4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline?
The InChIKey is XTUIPTFOWYHWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N/c1-6-4-10(15)8(5-11(6)18)7-2-3-9(14)13(17)12(7)16/h2-5H,18H2,1H3.
What are the key properties of 4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline?
4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline has a molecular weight of 255.21 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline is sourced from PubChem (CID 107593669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).