3-fluoro-4-(2,4,6-trichlorophenyl)aniline

C12H7Cl3FN — CID 105349877

IUPAC3-fluoro-4-(2,4,6-trichlorophenyl)aniline
SMILESNc1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C12H7Cl3FN/c13-6-3-9(14)12(10(15)4-6)8-2-1-7(17)5-11(8)16/h1-5H,17H2
InChIKeyZTPXGCZMMFXLRF-UHFFFAOYSA-N
MW290.55 g/mol
LogP5.04
Rot. Bonds1

About 3-fluoro-4-(2,4,6-trichlorophenyl)aniline

3-fluoro-4-(2,4,6-trichlorophenyl)aniline (PubChem CID 105349877) has the molecular formula C12H7Cl3FN and a molecular weight of 290.55 g/mol. Its IUPAC name is 3-fluoro-4-(2,4,6-trichlorophenyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-(2,4,6-trichlorophenyl)aniline
PubChem CID105349877
Molecular FormulaC12H7Cl3FN
Molecular Weight290.55 g/mol
Exact Mass288.96
IUPAC Name3-fluoro-4-(2,4,6-trichlorophenyl)aniline
SMILESNc1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C12H7Cl3FN/c13-6-3-9(14)12(10(15)4-6)8-2-1-7(17)5-11(8)16/h1-5H,17H2
InChIKeyZTPXGCZMMFXLRF-UHFFFAOYSA-N
XLogP5.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.55
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-fluoroaniline
CID 2736511
4-(3-chlorophenyl)-3-fluoroaniline
CID 65435411
3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline
CID 107615986
4-(2,4-difluorophenyl)-3-fluoroaniline
CID 57415152
4-(4-chloro-3-pyridinyl)-3-fluoroaniline
CID 163275681
4-(2,4,6-trichlorophenyl)aniline
CID 19980994
4-(5-bromo-2-fluorophenyl)-3-chloroaniline
CID 107615868
3-fluoro-4-(2-fluoro-4-methylphenyl)aniline
CID 90222645
2,4-dichloro-6-(2,4-dichlorophenyl)aniline
CID 71372791
3-fluoro-4-(2,4,6-trichlorophenyl)pyridine
CID 133090356
4-(4-chloro-3-methoxyphenyl)-3-fluoroaniline
CID 79711769
2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine
CID 118841835

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2,4,6-trichlorophenyl)aniline?
The IUPAC name of 3-fluoro-4-(2,4,6-trichlorophenyl)aniline (CID 105349877) is 3-fluoro-4-(2,4,6-trichlorophenyl)aniline.
What is the SMILES notation for 3-fluoro-4-(2,4,6-trichlorophenyl)aniline?
The canonical SMILES for 3-fluoro-4-(2,4,6-trichlorophenyl)aniline is Nc1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(F)c1.
What is the InChIKey of 3-fluoro-4-(2,4,6-trichlorophenyl)aniline?
The InChIKey is ZTPXGCZMMFXLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3FN/c13-6-3-9(14)12(10(15)4-6)8-2-1-7(17)5-11(8)16/h1-5H,17H2.
What are the key properties of 3-fluoro-4-(2,4,6-trichlorophenyl)aniline?
3-fluoro-4-(2,4,6-trichlorophenyl)aniline has a molecular weight of 290.55 g/mol, XLogP of 5.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2,4,6-trichlorophenyl)aniline is sourced from PubChem (CID 105349877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).