5-fluoro-2-prop-1-en-2-ylaniline

C9H10FN — CID 124704429

IUPAC5-fluoro-2-prop-1-en-2-ylaniline
SMILESC=C(C)c1ccc(F)cc1N
InChIInChI=1S/C9H10FN/c1-6(2)8-4-3-7(10)5-9(8)11/h3-5H,1,11H2,2H3
InChIKeyUTRYPCVEYZJLGV-UHFFFAOYSA-N
MW151.18 g/mol
LogP2.44
Rot. Bonds1

About 5-fluoro-2-prop-1-en-2-ylaniline

5-fluoro-2-prop-1-en-2-ylaniline (PubChem CID 124704429) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 5-fluoro-2-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name5-fluoro-2-prop-1-en-2-ylaniline
PubChem CID124704429
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name5-fluoro-2-prop-1-en-2-ylaniline
SMILESC=C(C)c1ccc(F)cc1N
InChIInChI=1S/C9H10FN/c1-6(2)8-4-3-7(10)5-9(8)11/h3-5H,1,11H2,2H3
InChIKeyUTRYPCVEYZJLGV-UHFFFAOYSA-N
XLogP2.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 52.44
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 5-fluoro-2-prop-1-en-2-ylaniline?
The IUPAC name of 5-fluoro-2-prop-1-en-2-ylaniline (CID 124704429) is 5-fluoro-2-prop-1-en-2-ylaniline.
What is the SMILES notation for 5-fluoro-2-prop-1-en-2-ylaniline?
The canonical SMILES for 5-fluoro-2-prop-1-en-2-ylaniline is C=C(C)c1ccc(F)cc1N.
What is the InChIKey of 5-fluoro-2-prop-1-en-2-ylaniline?
The InChIKey is UTRYPCVEYZJLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c1-6(2)8-4-3-7(10)5-9(8)11/h3-5H,1,11H2,2H3.
What are the key properties of 5-fluoro-2-prop-1-en-2-ylaniline?
5-fluoro-2-prop-1-en-2-ylaniline has a molecular weight of 151.18 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-prop-1-en-2-ylaniline is sourced from PubChem (CID 124704429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).