2-(3-aminophenyl)-4-fluoroaniline

C12H11FN2 — CID 68785207

IUPAC2-(3-aminophenyl)-4-fluoroaniline
SMILESNc1cccc(-c2cc(F)ccc2N)c1
InChIInChI=1S/C12H11FN2/c13-9-4-5-12(15)11(7-9)8-2-1-3-10(14)6-8/h1-7H,14-15H2
InChIKeyRYTRMLQRZZRGSJ-UHFFFAOYSA-N
MW202.23 g/mol
LogP2.66
Rot. Bonds1

About 2-(3-aminophenyl)-4-fluoroaniline

2-(3-aminophenyl)-4-fluoroaniline (PubChem CID 68785207) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-(3-aminophenyl)-4-fluoroaniline.

Molecular Properties

Compound Name2-(3-aminophenyl)-4-fluoroaniline
PubChem CID68785207
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name2-(3-aminophenyl)-4-fluoroaniline
SMILESNc1cccc(-c2cc(F)ccc2N)c1
InChIInChI=1S/C12H11FN2/c13-9-4-5-12(15)11(7-9)8-2-1-3-10(14)6-8/h1-7H,14-15H2
InChIKeyRYTRMLQRZZRGSJ-UHFFFAOYSA-N
XLogP2.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 52.66
H-Bond Donors ≤ 52
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 2-(3-aminophenyl)-4-fluoroaniline?
The IUPAC name of 2-(3-aminophenyl)-4-fluoroaniline (CID 68785207) is 2-(3-aminophenyl)-4-fluoroaniline.
What is the SMILES notation for 2-(3-aminophenyl)-4-fluoroaniline?
The canonical SMILES for 2-(3-aminophenyl)-4-fluoroaniline is Nc1cccc(-c2cc(F)ccc2N)c1.
What is the InChIKey of 2-(3-aminophenyl)-4-fluoroaniline?
The InChIKey is RYTRMLQRZZRGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2/c13-9-4-5-12(15)11(7-9)8-2-1-3-10(14)6-8/h1-7H,14-15H2.
What are the key properties of 2-(3-aminophenyl)-4-fluoroaniline?
2-(3-aminophenyl)-4-fluoroaniline has a molecular weight of 202.23 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-4-fluoroaniline is sourced from PubChem (CID 68785207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).