4-(2,3,4-trifluorophenyl)aniline

C12H8F3N — CID 62965800

IUPAC4-(2,3,4-trifluorophenyl)aniline
SMILESNc1ccc(-c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C12H8F3N/c13-10-6-5-9(11(14)12(10)15)7-1-3-8(16)4-2-7/h1-6H,16H2
InChIKeyWOIPAGGEOXLJDF-UHFFFAOYSA-N
MW223.20 g/mol
LogP3.35
Rot. Bonds1

About 4-(2,3,4-trifluorophenyl)aniline

4-(2,3,4-trifluorophenyl)aniline (PubChem CID 62965800) has the molecular formula C12H8F3N and a molecular weight of 223.20 g/mol. Its IUPAC name is 4-(2,3,4-trifluorophenyl)aniline.

Molecular Properties

Compound Name4-(2,3,4-trifluorophenyl)aniline
PubChem CID62965800
Molecular FormulaC12H8F3N
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name4-(2,3,4-trifluorophenyl)aniline
SMILESNc1ccc(-c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C12H8F3N/c13-10-6-5-9(11(14)12(10)15)7-1-3-8(16)4-2-7/h1-6H,16H2
InChIKeyWOIPAGGEOXLJDF-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 53.35
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

4,4-Diaminodiphenylmethane
CID 7577
o-Tolidine
CID 8413
p-Toluidine
CID 7813
4-Aminobiphenyl
CID 7102
Benzidine
CID 7111
2-Naphthylamine
CID 7057
2-Aminofluorene
CID 1539
2-Aminobiphenyl
CID 7015
3,4-Dimethylaniline
CID 7248
Benzenamine, 4-methyl-, hydrochloride (1:1)
CID 10891
4,4'-Diamino-3,3'-dimethyldiphenylmethane
CID 13283
4-Isopropylaniline
CID 7464

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4-trifluorophenyl)aniline?
The IUPAC name of 4-(2,3,4-trifluorophenyl)aniline (CID 62965800) is 4-(2,3,4-trifluorophenyl)aniline.
What is the SMILES notation for 4-(2,3,4-trifluorophenyl)aniline?
The canonical SMILES for 4-(2,3,4-trifluorophenyl)aniline is Nc1ccc(-c2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 4-(2,3,4-trifluorophenyl)aniline?
The InChIKey is WOIPAGGEOXLJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N/c13-10-6-5-9(11(14)12(10)15)7-1-3-8(16)4-2-7/h1-6H,16H2.
What are the key properties of 4-(2,3,4-trifluorophenyl)aniline?
4-(2,3,4-trifluorophenyl)aniline has a molecular weight of 223.20 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4-trifluorophenyl)aniline is sourced from PubChem (CID 62965800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).