2,4,6-trichloro-3-fluoroaniline

C6H3Cl3FN — CID 155973401

IUPAC2,4,6-trichloro-3-fluoroaniline
SMILESNc1c(Cl)cc(Cl)c(F)c1Cl
InChIInChI=1S/C6H3Cl3FN/c7-2-1-3(8)6(11)4(9)5(2)10/h1H,11H2
InChIKeySFVGJHLZECLVCD-UHFFFAOYSA-N
MW214.45 g/mol
LogP3.37
Rot. Bonds

About 2,4,6-trichloro-3-fluoroaniline

2,4,6-trichloro-3-fluoroaniline (PubChem CID 155973401) has the molecular formula C6H3Cl3FN and a molecular weight of 214.45 g/mol. Its IUPAC name is 2,4,6-trichloro-3-fluoroaniline.

Molecular Properties

Compound Name2,4,6-trichloro-3-fluoroaniline
PubChem CID155973401
Molecular FormulaC6H3Cl3FN
Molecular Weight214.45 g/mol
Exact Mass212.93
IUPAC Name2,4,6-trichloro-3-fluoroaniline
SMILESNc1c(Cl)cc(Cl)c(F)c1Cl
InChIInChI=1S/C6H3Cl3FN/c7-2-1-3(8)6(11)4(9)5(2)10/h1H,11H2
InChIKeySFVGJHLZECLVCD-UHFFFAOYSA-N
XLogP3.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4-Dichloroaniline
CID 11123
2,4,6-Trichloroaniline
CID 12471
(2,4,6-Trichlorophenyl)hydrazine
CID 79234
2,6-Dichloroaniline
CID 11846
3,5-Dichloro-2,4-difluorobenzenamine
CID 2774000
Benzenamine, 2-chloro-4-fluoro-
CID 75013
3,5-Dichloro-4-fluoroaniline
CID 75948
2-Chloro-4,6-difluoroaniline
CID 2734083
1,3,5-Trichloro-2-nitrosobenzene
CID 70959
4-Chloro-2-fluoroaniline
CID 93898
2,4,6-Trichlorophenyl isothiocyanate
CID 123399
2-Chloro-6-fluoroaniline
CID 2734205

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-3-fluoroaniline?
The IUPAC name of 2,4,6-trichloro-3-fluoroaniline (CID 155973401) is 2,4,6-trichloro-3-fluoroaniline.
What is the SMILES notation for 2,4,6-trichloro-3-fluoroaniline?
The canonical SMILES for 2,4,6-trichloro-3-fluoroaniline is Nc1c(Cl)cc(Cl)c(F)c1Cl.
What is the InChIKey of 2,4,6-trichloro-3-fluoroaniline?
The InChIKey is SFVGJHLZECLVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3FN/c7-2-1-3(8)6(11)4(9)5(2)10/h1H,11H2.
What are the key properties of 2,4,6-trichloro-3-fluoroaniline?
2,4,6-trichloro-3-fluoroaniline has a molecular weight of 214.45 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-3-fluoroaniline is sourced from PubChem (CID 155973401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).