4-(4-chloro-2-fluorophenyl)-5-fluoro-2-methylaniline

C13H10ClF2N — CID 171916633

IUPAC4-(4-chloro-2-fluorophenyl)-5-fluoro-2-methylaniline
SMILESCc1cc(-c2ccc(Cl)cc2F)c(F)cc1N
InChIInChI=1S/C13H10ClF2N/c1-7-4-10(12(16)6-13(7)17)9-3-2-8(14)5-11(9)15/h2-6H,17H2,1H3
InChIKeyIMTCZUAGZGCUCM-UHFFFAOYSA-N
MW253.68 g/mol
LogP4.18
Rot. Bonds1

About 4-(4-chloro-2-fluorophenyl)-5-fluoro-2-methylaniline

4-(4-chloro-2-fluorophenyl)-5-fluoro-2-methylaniline (PubChem CID 171916633) has the molecular formula C13H10ClF2N and a molecular weight of 253.68 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-5-fluoro-2-methylaniline.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-5-fluoro-2-methylaniline
PubChem CID171916633
Molecular FormulaC13H10ClF2N
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name4-(4-chloro-2-fluorophenyl)-5-fluoro-2-methylaniline
SMILESCc1cc(-c2ccc(Cl)cc2F)c(F)cc1N
InChIInChI=1S/C13H10ClF2N/c1-7-4-10(12(16)6-13(7)17)9-3-2-8(14)5-11(9)15/h2-6H,17H2,1H3
InChIKeyIMTCZUAGZGCUCM-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-5-fluoro-2-methylaniline?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-5-fluoro-2-methylaniline (CID 171916633) is 4-(4-chloro-2-fluorophenyl)-5-fluoro-2-methylaniline.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-5-fluoro-2-methylaniline?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-5-fluoro-2-methylaniline is Cc1cc(-c2ccc(Cl)cc2F)c(F)cc1N.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-5-fluoro-2-methylaniline?
The InChIKey is IMTCZUAGZGCUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N/c1-7-4-10(12(16)6-13(7)17)9-3-2-8(14)5-11(9)15/h2-6H,17H2,1H3.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-5-fluoro-2-methylaniline?
4-(4-chloro-2-fluorophenyl)-5-fluoro-2-methylaniline has a molecular weight of 253.68 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-5-fluoro-2-methylaniline is sourced from PubChem (CID 171916633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).