2-(4-fluoroanilino)acetonitrile

C8H7FN2 — CID 3018660

IUPAC2-(4-fluoroanilino)acetonitrile
SMILESN#CCNc1ccc(F)cc1
InChIInChI=1S/C8H7FN2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,11H,6H2
InChIKeyUAYKXKKZGRYBAQ-UHFFFAOYSA-N
MW150.16 g/mol
LogP1.76
Rot. Bonds2

About 2-(4-fluoroanilino)acetonitrile

2-(4-fluoroanilino)acetonitrile (PubChem CID 3018660) has the molecular formula C8H7FN2 and a molecular weight of 150.16 g/mol. Its IUPAC name is 2-(4-fluoroanilino)acetonitrile.

Molecular Properties

Compound Name2-(4-fluoroanilino)acetonitrile
PubChem CID3018660
Molecular FormulaC8H7FN2
Molecular Weight150.16 g/mol
Exact Mass150.06
IUPAC Name2-(4-fluoroanilino)acetonitrile
SMILESN#CCNc1ccc(F)cc1
InChIInChI=1S/C8H7FN2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,11H,6H2
InChIKeyUAYKXKKZGRYBAQ-UHFFFAOYSA-N
XLogP1.76
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)acetonitrile?
The IUPAC name of 2-(4-fluoroanilino)acetonitrile (CID 3018660) is 2-(4-fluoroanilino)acetonitrile.
What is the SMILES notation for 2-(4-fluoroanilino)acetonitrile?
The canonical SMILES for 2-(4-fluoroanilino)acetonitrile is N#CCNc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoroanilino)acetonitrile?
The InChIKey is UAYKXKKZGRYBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,11H,6H2.
What are the key properties of 2-(4-fluoroanilino)acetonitrile?
2-(4-fluoroanilino)acetonitrile has a molecular weight of 150.16 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)acetonitrile is sourced from PubChem (CID 3018660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).