3-fluoro-4-(2-fluoro-4-methylphenyl)aniline

C13H11F2N — CID 90222645

IUPAC3-fluoro-4-(2-fluoro-4-methylphenyl)aniline
SMILESCc1ccc(-c2ccc(N)cc2F)c(F)c1
InChIInChI=1S/C13H11F2N/c1-8-2-4-10(12(14)6-8)11-5-3-9(16)7-13(11)15/h2-7H,16H2,1H3
InChIKeyYONRSXSBIRMEBW-UHFFFAOYSA-N
MW219.23 g/mol
LogP3.52
Rot. Bonds1

About 3-fluoro-4-(2-fluoro-4-methylphenyl)aniline

3-fluoro-4-(2-fluoro-4-methylphenyl)aniline (PubChem CID 90222645) has the molecular formula C13H11F2N and a molecular weight of 219.23 g/mol. Its IUPAC name is 3-fluoro-4-(2-fluoro-4-methylphenyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-(2-fluoro-4-methylphenyl)aniline
PubChem CID90222645
Molecular FormulaC13H11F2N
Molecular Weight219.23 g/mol
Exact Mass219.09
IUPAC Name3-fluoro-4-(2-fluoro-4-methylphenyl)aniline
SMILESCc1ccc(-c2ccc(N)cc2F)c(F)c1
InChIInChI=1S/C13H11F2N/c1-8-2-4-10(12(14)6-8)11-5-3-9(16)7-13(11)15/h2-7H,16H2,1H3
InChIKeyYONRSXSBIRMEBW-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 53.52
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 3-fluoro-4-(2-fluoro-4-methylphenyl)aniline?
The IUPAC name of 3-fluoro-4-(2-fluoro-4-methylphenyl)aniline (CID 90222645) is 3-fluoro-4-(2-fluoro-4-methylphenyl)aniline.
What is the SMILES notation for 3-fluoro-4-(2-fluoro-4-methylphenyl)aniline?
The canonical SMILES for 3-fluoro-4-(2-fluoro-4-methylphenyl)aniline is Cc1ccc(-c2ccc(N)cc2F)c(F)c1.
What is the InChIKey of 3-fluoro-4-(2-fluoro-4-methylphenyl)aniline?
The InChIKey is YONRSXSBIRMEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N/c1-8-2-4-10(12(14)6-8)11-5-3-9(16)7-13(11)15/h2-7H,16H2,1H3.
What are the key properties of 3-fluoro-4-(2-fluoro-4-methylphenyl)aniline?
3-fluoro-4-(2-fluoro-4-methylphenyl)aniline has a molecular weight of 219.23 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-fluoro-4-methylphenyl)aniline is sourced from PubChem (CID 90222645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).