2-fluoro-4-(2,4,6-trifluorophenyl)aniline

C12H7F4N — CID 54912768

IUPAC2-fluoro-4-(2,4,6-trifluorophenyl)aniline
SMILESNc1ccc(-c2c(F)cc(F)cc2F)cc1F
InChIInChI=1S/C12H7F4N/c13-7-4-9(15)12(10(16)5-7)6-1-2-11(17)8(14)3-6/h1-5H,17H2
InChIKeyYQRIULWDZOHWAS-UHFFFAOYSA-N
MW241.19 g/mol
LogP3.49
Rot. Bonds1

About 2-fluoro-4-(2,4,6-trifluorophenyl)aniline

2-fluoro-4-(2,4,6-trifluorophenyl)aniline (PubChem CID 54912768) has the molecular formula C12H7F4N and a molecular weight of 241.19 g/mol. Its IUPAC name is 2-fluoro-4-(2,4,6-trifluorophenyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-(2,4,6-trifluorophenyl)aniline
PubChem CID54912768
Molecular FormulaC12H7F4N
Molecular Weight241.19 g/mol
Exact Mass241.05
IUPAC Name2-fluoro-4-(2,4,6-trifluorophenyl)aniline
SMILESNc1ccc(-c2c(F)cc(F)cc2F)cc1F
InChIInChI=1S/C12H7F4N/c13-7-4-9(15)12(10(16)5-7)6-1-2-11(17)8(14)3-6/h1-5H,17H2
InChIKeyYQRIULWDZOHWAS-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2,4,6-trifluorophenyl)aniline?
The IUPAC name of 2-fluoro-4-(2,4,6-trifluorophenyl)aniline (CID 54912768) is 2-fluoro-4-(2,4,6-trifluorophenyl)aniline.
What is the SMILES notation for 2-fluoro-4-(2,4,6-trifluorophenyl)aniline?
The canonical SMILES for 2-fluoro-4-(2,4,6-trifluorophenyl)aniline is Nc1ccc(-c2c(F)cc(F)cc2F)cc1F.
What is the InChIKey of 2-fluoro-4-(2,4,6-trifluorophenyl)aniline?
The InChIKey is YQRIULWDZOHWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4N/c13-7-4-9(15)12(10(16)5-7)6-1-2-11(17)8(14)3-6/h1-5H,17H2.
What are the key properties of 2-fluoro-4-(2,4,6-trifluorophenyl)aniline?
2-fluoro-4-(2,4,6-trifluorophenyl)aniline has a molecular weight of 241.19 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2,4,6-trifluorophenyl)aniline is sourced from PubChem (CID 54912768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).