6-ethenyl-3-fluoro-2-phenylaniline

C14H12FN — CID 162513364

IUPAC6-ethenyl-3-fluoro-2-phenylaniline
SMILESC=Cc1ccc(F)c(-c2ccccc2)c1N
InChIInChI=1S/C14H12FN/c1-2-10-8-9-12(15)13(14(10)16)11-6-4-3-5-7-11/h2-9H,1,16H2
InChIKeyUHSRZSGVLHLONI-UHFFFAOYSA-N
MW213.25 g/mol
LogP3.72
Rot. Bonds2

About 6-ethenyl-3-fluoro-2-phenylaniline

6-ethenyl-3-fluoro-2-phenylaniline (PubChem CID 162513364) has the molecular formula C14H12FN and a molecular weight of 213.25 g/mol. Its IUPAC name is 6-ethenyl-3-fluoro-2-phenylaniline.

Molecular Properties

Compound Name6-ethenyl-3-fluoro-2-phenylaniline
PubChem CID162513364
Molecular FormulaC14H12FN
Molecular Weight213.25 g/mol
Exact Mass213.10
IUPAC Name6-ethenyl-3-fluoro-2-phenylaniline
SMILESC=Cc1ccc(F)c(-c2ccccc2)c1N
InChIInChI=1S/C14H12FN/c1-2-10-8-9-12(15)13(14(10)16)11-6-4-3-5-7-11/h2-9H,1,16H2
InChIKeyUHSRZSGVLHLONI-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 53.72
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 6-ethenyl-3-fluoro-2-phenylaniline?
The IUPAC name of 6-ethenyl-3-fluoro-2-phenylaniline (CID 162513364) is 6-ethenyl-3-fluoro-2-phenylaniline.
What is the SMILES notation for 6-ethenyl-3-fluoro-2-phenylaniline?
The canonical SMILES for 6-ethenyl-3-fluoro-2-phenylaniline is C=Cc1ccc(F)c(-c2ccccc2)c1N.
What is the InChIKey of 6-ethenyl-3-fluoro-2-phenylaniline?
The InChIKey is UHSRZSGVLHLONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN/c1-2-10-8-9-12(15)13(14(10)16)11-6-4-3-5-7-11/h2-9H,1,16H2.
What are the key properties of 6-ethenyl-3-fluoro-2-phenylaniline?
6-ethenyl-3-fluoro-2-phenylaniline has a molecular weight of 213.25 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-fluoro-2-phenylaniline is sourced from PubChem (CID 162513364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).