2,4,6-trichloro-N-(2-fluoroethyl)aniline

C8H7Cl3FN — CID 80694020

IUPAC2,4,6-trichloro-N-(2-fluoroethyl)aniline
SMILESFCCNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl3FN/c9-5-3-6(10)8(7(11)4-5)13-2-1-12/h3-4,13H,1-2H2
InChIKeyVURUHTOGGNSNQO-UHFFFAOYSA-N
MW242.51 g/mol
LogP4.03
Rot. Bonds3

About 2,4,6-trichloro-N-(2-fluoroethyl)aniline

2,4,6-trichloro-N-(2-fluoroethyl)aniline (PubChem CID 80694020) has the molecular formula C8H7Cl3FN and a molecular weight of 242.51 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(2-fluoroethyl)aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-(2-fluoroethyl)aniline
PubChem CID80694020
Molecular FormulaC8H7Cl3FN
Molecular Weight242.51 g/mol
Exact Mass240.96
IUPAC Name2,4,6-trichloro-N-(2-fluoroethyl)aniline
SMILESFCCNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl3FN/c9-5-3-6(10)8(7(11)4-5)13-2-1-12/h3-4,13H,1-2H2
InChIKeyVURUHTOGGNSNQO-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(2-fluoroethyl)aniline?
The IUPAC name of 2,4,6-trichloro-N-(2-fluoroethyl)aniline (CID 80694020) is 2,4,6-trichloro-N-(2-fluoroethyl)aniline.
What is the SMILES notation for 2,4,6-trichloro-N-(2-fluoroethyl)aniline?
The canonical SMILES for 2,4,6-trichloro-N-(2-fluoroethyl)aniline is FCCNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-(2-fluoroethyl)aniline?
The InChIKey is VURUHTOGGNSNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3FN/c9-5-3-6(10)8(7(11)4-5)13-2-1-12/h3-4,13H,1-2H2.
What are the key properties of 2,4,6-trichloro-N-(2-fluoroethyl)aniline?
2,4,6-trichloro-N-(2-fluoroethyl)aniline has a molecular weight of 242.51 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(2-fluoroethyl)aniline is sourced from PubChem (CID 80694020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).