4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline

C14H10Cl3F2N — CID 43716586

IUPAC4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline
SMILESCC(Nc1ccc(Cl)cc1F)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C14H10Cl3F2N/c1-7(13-9(16)3-4-10(18)14(13)17)20-12-5-2-8(15)6-11(12)19/h2-7,20H,1H3
InChIKeyLSLSMSSKENGFKA-UHFFFAOYSA-N
MW336.60 g/mol
LogP6.10
Rot. Bonds3

About 4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline

4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline (PubChem CID 43716586) has the molecular formula C14H10Cl3F2N and a molecular weight of 336.60 g/mol. Its IUPAC name is 4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline
PubChem CID43716586
Molecular FormulaC14H10Cl3F2N
Molecular Weight336.60 g/mol
Exact Mass334.98
IUPAC Name4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline
SMILESCC(Nc1ccc(Cl)cc1F)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C14H10Cl3F2N/c1-7(13-9(16)3-4-10(18)14(13)17)20-12-5-2-8(15)6-11(12)19/h2-7,20H,1H3
InChIKeyLSLSMSSKENGFKA-UHFFFAOYSA-N
XLogP6.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.60
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-methylaniline
CID 107631308
4-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43785087
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2,5-dimethylaniline
CID 43545101
3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline
CID 43545046
3-chloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]benzonitrile
CID 107807600
3-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylaniline
CID 43545032
2,6-dichloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenol
CID 107679459
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-4-fluoro-3-methylaniline
CID 63476345
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methoxy-5-methylaniline
CID 43545055
[2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenyl]methanol
CID 43743261
4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43226871
2-(1-bromoethyl)-1,3-dichloro-4-fluorobenzene
CID 54578784

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline?
The IUPAC name of 4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline (CID 43716586) is 4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline.
What is the SMILES notation for 4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline?
The canonical SMILES for 4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline is CC(Nc1ccc(Cl)cc1F)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline?
The InChIKey is LSLSMSSKENGFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3F2N/c1-7(13-9(16)3-4-10(18)14(13)17)20-12-5-2-8(15)6-11(12)19/h2-7,20H,1H3.
What are the key properties of 4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline?
4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline has a molecular weight of 336.60 g/mol, XLogP of 6.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline is sourced from PubChem (CID 43716586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).