2-(1-fluoroprop-2-enyl)aniline

C9H10FN — CID 68602781

IUPAC2-(1-fluoroprop-2-enyl)aniline
SMILESC=CC(F)c1ccccc1N
InChIInChI=1S/C9H10FN/c1-2-8(10)7-5-3-4-6-9(7)11/h2-6,8H,1,11H2
InChIKeyLJRBEPANNUWKCD-UHFFFAOYSA-N
MW151.18 g/mol
LogP2.47
Rot. Bonds2

About 2-(1-fluoroprop-2-enyl)aniline

2-(1-fluoroprop-2-enyl)aniline (PubChem CID 68602781) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 2-(1-fluoroprop-2-enyl)aniline.

Molecular Properties

Compound Name2-(1-fluoroprop-2-enyl)aniline
PubChem CID68602781
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name2-(1-fluoroprop-2-enyl)aniline
SMILESC=CC(F)c1ccccc1N
InChIInChI=1S/C9H10FN/c1-2-8(10)7-5-3-4-6-9(7)11/h2-6,8H,1,11H2
InChIKeyLJRBEPANNUWKCD-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroprop-2-enyl)aniline?
The IUPAC name of 2-(1-fluoroprop-2-enyl)aniline (CID 68602781) is 2-(1-fluoroprop-2-enyl)aniline.
What is the SMILES notation for 2-(1-fluoroprop-2-enyl)aniline?
The canonical SMILES for 2-(1-fluoroprop-2-enyl)aniline is C=CC(F)c1ccccc1N.
What is the InChIKey of 2-(1-fluoroprop-2-enyl)aniline?
The InChIKey is LJRBEPANNUWKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c1-2-8(10)7-5-3-4-6-9(7)11/h2-6,8H,1,11H2.
What are the key properties of 2-(1-fluoroprop-2-enyl)aniline?
2-(1-fluoroprop-2-enyl)aniline has a molecular weight of 151.18 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroprop-2-enyl)aniline is sourced from PubChem (CID 68602781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).