5-chloro-2-(2,5-difluoro-4-methylphenyl)aniline

C13H10ClF2N — CID 81274762

IUPAC5-chloro-2-(2,5-difluoro-4-methylphenyl)aniline
SMILESCc1cc(F)c(-c2ccc(Cl)cc2N)cc1F
InChIInChI=1S/C13H10ClF2N/c1-7-4-12(16)10(6-11(7)15)9-3-2-8(14)5-13(9)17/h2-6H,17H2,1H3
InChIKeyDJMKTKRKDYUZJS-UHFFFAOYSA-N
MW253.68 g/mol
LogP4.18
Rot. Bonds1

About 5-chloro-2-(2,5-difluoro-4-methylphenyl)aniline

5-chloro-2-(2,5-difluoro-4-methylphenyl)aniline (PubChem CID 81274762) has the molecular formula C13H10ClF2N and a molecular weight of 253.68 g/mol. Its IUPAC name is 5-chloro-2-(2,5-difluoro-4-methylphenyl)aniline.

Molecular Properties

Compound Name5-chloro-2-(2,5-difluoro-4-methylphenyl)aniline
PubChem CID81274762
Molecular FormulaC13H10ClF2N
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name5-chloro-2-(2,5-difluoro-4-methylphenyl)aniline
SMILESCc1cc(F)c(-c2ccc(Cl)cc2N)cc1F
InChIInChI=1S/C13H10ClF2N/c1-7-4-12(16)10(6-11(7)15)9-3-2-8(14)5-13(9)17/h2-6H,17H2,1H3
InChIKeyDJMKTKRKDYUZJS-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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Related Compounds

5-chloro-2-(2-chloro-4-fluoro-5-methylphenyl)aniline
CID 81274932
5-chloro-2-(5-fluoro-2-methylphenyl)aniline
CID 81274733
4-(4-chloro-2-fluorophenyl)-5-fluoro-2-methylaniline
CID 171916633
5-chloro-2-(2,6-difluoro-3-methylphenyl)aniline
CID 82821994
5-amino-2-(2,5-difluoro-4-methylphenyl)-4-fluorophenol
CID 142543781
5-methyl-2-(2,4,5-trifluorophenyl)aniline
CID 82766150
5-chloro-2-(2,4-dichlorophenyl)aniline
CID 70539769
4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline
CID 107593669
5-chloro-2-(3,4,5-trifluorophenyl)aniline
CID 81275236
4-chloro-2-(3-fluoro-4-methylphenyl)aniline
CID 115502446
4-(2,5-difluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117319250
1-N-(5-chloro-2-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589946

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,5-difluoro-4-methylphenyl)aniline?
The IUPAC name of 5-chloro-2-(2,5-difluoro-4-methylphenyl)aniline (CID 81274762) is 5-chloro-2-(2,5-difluoro-4-methylphenyl)aniline.
What is the SMILES notation for 5-chloro-2-(2,5-difluoro-4-methylphenyl)aniline?
The canonical SMILES for 5-chloro-2-(2,5-difluoro-4-methylphenyl)aniline is Cc1cc(F)c(-c2ccc(Cl)cc2N)cc1F.
What is the InChIKey of 5-chloro-2-(2,5-difluoro-4-methylphenyl)aniline?
The InChIKey is DJMKTKRKDYUZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N/c1-7-4-12(16)10(6-11(7)15)9-3-2-8(14)5-13(9)17/h2-6H,17H2,1H3.
What are the key properties of 5-chloro-2-(2,5-difluoro-4-methylphenyl)aniline?
5-chloro-2-(2,5-difluoro-4-methylphenyl)aniline 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 5-chloro-2-(2,5-difluoro-4-methylphenyl)aniline is sourced from PubChem (CID 81274762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).