4-fluoro-3-(3-fluorophenyl)aniline

C12H9F2N — CID 46312186

IUPAC4-fluoro-3-(3-fluorophenyl)aniline
SMILESNc1ccc(F)c(-c2cccc(F)c2)c1
InChIInChI=1S/C12H9F2N/c13-9-3-1-2-8(6-9)11-7-10(15)4-5-12(11)14/h1-7H,15H2
InChIKeyBHWXYDXCPAAORY-UHFFFAOYSA-N
MW205.21 g/mol
LogP3.21
Rot. Bonds1

About 4-fluoro-3-(3-fluorophenyl)aniline

4-fluoro-3-(3-fluorophenyl)aniline (PubChem CID 46312186) has the molecular formula C12H9F2N and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-fluoro-3-(3-fluorophenyl)aniline.

Molecular Properties

Compound Name4-fluoro-3-(3-fluorophenyl)aniline
PubChem CID46312186
Molecular FormulaC12H9F2N
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-fluoro-3-(3-fluorophenyl)aniline
SMILESNc1ccc(F)c(-c2cccc(F)c2)c1
InChIInChI=1S/C12H9F2N/c13-9-3-1-2-8(6-9)11-7-10(15)4-5-12(11)14/h1-7H,15H2
InChIKeyBHWXYDXCPAAORY-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 53.21
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-fluoro-3-(3-fluorophenyl)aniline?
The IUPAC name of 4-fluoro-3-(3-fluorophenyl)aniline (CID 46312186) is 4-fluoro-3-(3-fluorophenyl)aniline.
What is the SMILES notation for 4-fluoro-3-(3-fluorophenyl)aniline?
The canonical SMILES for 4-fluoro-3-(3-fluorophenyl)aniline is Nc1ccc(F)c(-c2cccc(F)c2)c1.
What is the InChIKey of 4-fluoro-3-(3-fluorophenyl)aniline?
The InChIKey is BHWXYDXCPAAORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N/c13-9-3-1-2-8(6-9)11-7-10(15)4-5-12(11)14/h1-7H,15H2.
What are the key properties of 4-fluoro-3-(3-fluorophenyl)aniline?
4-fluoro-3-(3-fluorophenyl)aniline has a molecular weight of 205.21 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(3-fluorophenyl)aniline is sourced from PubChem (CID 46312186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).