5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline

C13H10Cl2FNO — CID 66076942

IUPAC5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline
SMILESNc1cc(Cl)c(F)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2FNO/c14-9-3-1-8(2-4-9)7-18-13-6-11(16)10(15)5-12(13)17/h1-6H,7,17H2
InChIKeyYKUUAHAKSYJXRY-UHFFFAOYSA-N
MW286.13 g/mol
LogP4.29
Rot. Bonds3

About 5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline

5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline (PubChem CID 66076942) has the molecular formula C13H10Cl2FNO and a molecular weight of 286.13 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline.

Molecular Properties

Compound Name5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline
PubChem CID66076942
Molecular FormulaC13H10Cl2FNO
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline
SMILESNc1cc(Cl)c(F)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2FNO/c14-9-3-1-8(2-4-9)7-18-13-6-11(16)10(15)5-12(13)17/h1-6H,7,17H2
InChIKeyYKUUAHAKSYJXRY-UHFFFAOYSA-N
XLogP4.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline?
The IUPAC name of 5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline (CID 66076942) is 5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline.
What is the SMILES notation for 5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline?
The canonical SMILES for 5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline is Nc1cc(Cl)c(F)cc1OCc1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline?
The InChIKey is YKUUAHAKSYJXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO/c14-9-3-1-8(2-4-9)7-18-13-6-11(16)10(15)5-12(13)17/h1-6H,7,17H2.
What are the key properties of 5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline?
5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline has a molecular weight of 286.13 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline is sourced from PubChem (CID 66076942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).