4-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline

C14H11Cl3FNO — CID 63506191

IUPAC4-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline
SMILESFc1ccc(NCCOc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H11Cl3FNO/c15-9-7-12(16)14(13(17)8-9)20-6-5-19-11-3-1-10(18)2-4-11/h1-4,7-8,19H,5-6H2
InChIKeyGYXMQAQYTKLJRH-UHFFFAOYSA-N
MW334.61 g/mol
LogP5.28
Rot. Bonds5

About 4-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline

4-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline (PubChem CID 63506191) has the molecular formula C14H11Cl3FNO and a molecular weight of 334.61 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline
PubChem CID63506191
Molecular FormulaC14H11Cl3FNO
Molecular Weight334.61 g/mol
Exact Mass332.99
IUPAC Name4-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline
SMILESFc1ccc(NCCOc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H11Cl3FNO/c15-9-7-12(16)14(13(17)8-9)20-6-5-19-11-3-1-10(18)2-4-11/h1-4,7-8,19H,5-6H2
InChIKeyGYXMQAQYTKLJRH-UHFFFAOYSA-N
XLogP5.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.61
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline
CID 63505215
N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline
CID 63505890
N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline
CID 62785083
N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
CID 126204543
4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline
CID 55024304
N-[(2,4-dichlorophenyl)methyl]-2-(2,4,6-trichlorophenoxy)ethanamine
CID 67892827
N-[2-(2,4,6-trichlorophenoxy)ethyl]prop-2-en-1-amine
CID 21286525
N-[2-(2-bromophenoxy)ethyl]-4-chloroaniline
CID 63505941
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 29225270
N'-(3-chlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 54806317
N-[2-(2-chlorophenoxy)ethyl]aniline
CID 19079516
3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline
CID 39365277

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline?
The IUPAC name of 4-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline (CID 63506191) is 4-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline?
The canonical SMILES for 4-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline is Fc1ccc(NCCOc2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline?
The InChIKey is GYXMQAQYTKLJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3FNO/c15-9-7-12(16)14(13(17)8-9)20-6-5-19-11-3-1-10(18)2-4-11/h1-4,7-8,19H,5-6H2.
What are the key properties of 4-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline?
4-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline has a molecular weight of 334.61 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline is sourced from PubChem (CID 63506191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).