2-fluoro-5-phenylaniline

C12H10FN — CID 46314628

IUPAC2-fluoro-5-phenylaniline
SMILESNc1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C12H10FN/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8H,14H2
InChIKeyIUFZECBBDNMEEE-UHFFFAOYSA-N
MW187.22 g/mol
LogP3.07
Rot. Bonds1

About 2-fluoro-5-phenylaniline

2-fluoro-5-phenylaniline (PubChem CID 46314628) has the molecular formula C12H10FN and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-fluoro-5-phenylaniline.

Molecular Properties

Compound Name2-fluoro-5-phenylaniline
PubChem CID46314628
Molecular FormulaC12H10FN
Molecular Weight187.22 g/mol
Exact Mass187.08
IUPAC Name2-fluoro-5-phenylaniline
SMILESNc1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C12H10FN/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8H,14H2
InChIKeyIUFZECBBDNMEEE-UHFFFAOYSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 53.07
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 2-fluoro-5-phenylaniline?
The IUPAC name of 2-fluoro-5-phenylaniline (CID 46314628) is 2-fluoro-5-phenylaniline.
What is the SMILES notation for 2-fluoro-5-phenylaniline?
The canonical SMILES for 2-fluoro-5-phenylaniline is Nc1cc(-c2ccccc2)ccc1F.
What is the InChIKey of 2-fluoro-5-phenylaniline?
The InChIKey is IUFZECBBDNMEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8H,14H2.
What are the key properties of 2-fluoro-5-phenylaniline?
2-fluoro-5-phenylaniline has a molecular weight of 187.22 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-phenylaniline is sourced from PubChem (CID 46314628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).