2-fluoro-4-(2-phenylethynyl)aniline

C14H10FN — CID 68753540

IUPAC2-fluoro-4-(2-phenylethynyl)aniline
SMILESNc1ccc(C#Cc2ccccc2)cc1F
InChIInChI=1S/C14H10FN/c15-13-10-12(8-9-14(13)16)7-6-11-4-2-1-3-5-11/h1-5,8-10H,16H2
InChIKeyHQQWKWWKAKZVFD-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.81
Rot. Bonds

About 2-fluoro-4-(2-phenylethynyl)aniline

2-fluoro-4-(2-phenylethynyl)aniline (PubChem CID 68753540) has the molecular formula C14H10FN and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-fluoro-4-(2-phenylethynyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-(2-phenylethynyl)aniline
PubChem CID68753540
Molecular FormulaC14H10FN
Molecular Weight211.24 g/mol
Exact Mass211.08
IUPAC Name2-fluoro-4-(2-phenylethynyl)aniline
SMILESNc1ccc(C#Cc2ccccc2)cc1F
InChIInChI=1S/C14H10FN/c15-13-10-12(8-9-14(13)16)7-6-11-4-2-1-3-5-11/h1-5,8-10H,16H2
InChIKeyHQQWKWWKAKZVFD-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-fluoro-4-(2-phenylethynyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-phenylethynyl)aniline?
The IUPAC name of 2-fluoro-4-(2-phenylethynyl)aniline (CID 68753540) is 2-fluoro-4-(2-phenylethynyl)aniline.
What is the SMILES notation for 2-fluoro-4-(2-phenylethynyl)aniline?
The canonical SMILES for 2-fluoro-4-(2-phenylethynyl)aniline is Nc1ccc(C#Cc2ccccc2)cc1F.
What is the InChIKey of 2-fluoro-4-(2-phenylethynyl)aniline?
The InChIKey is HQQWKWWKAKZVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN/c15-13-10-12(8-9-14(13)16)7-6-11-4-2-1-3-5-11/h1-5,8-10H,16H2.
What are the key properties of 2-fluoro-4-(2-phenylethynyl)aniline?
2-fluoro-4-(2-phenylethynyl)aniline has a molecular weight of 211.24 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-phenylethynyl)aniline is sourced from PubChem (CID 68753540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).