2-[2-(3-aminoprop-1-enyl)-4-fluorophenyl]acetonitrile

C11H11FN2 — CID 169463897

IUPAC2-[2-(3-aminoprop-1-enyl)-4-fluorophenyl]acetonitrile
SMILESN#CCc1ccc(F)cc1C=CCN
InChIInChI=1S/C11H11FN2/c12-11-4-3-9(5-7-14)10(8-11)2-1-6-13/h1-4,8H,5-6,13H2
InChIKeyIZBMGJBTISYRJO-UHFFFAOYSA-N
MW190.22 g/mol
LogP1.86
Rot. Bonds3

About 2-[2-(3-aminoprop-1-enyl)-4-fluorophenyl]acetonitrile

2-[2-(3-aminoprop-1-enyl)-4-fluorophenyl]acetonitrile (PubChem CID 169463897) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 2-[2-(3-aminoprop-1-enyl)-4-fluorophenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(3-aminoprop-1-enyl)-4-fluorophenyl]acetonitrile
PubChem CID169463897
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name2-[2-(3-aminoprop-1-enyl)-4-fluorophenyl]acetonitrile
SMILESN#CCc1ccc(F)cc1C=CCN
InChIInChI=1S/C11H11FN2/c12-11-4-3-9(5-7-14)10(8-11)2-1-6-13/h1-4,8H,5-6,13H2
InChIKeyIZBMGJBTISYRJO-UHFFFAOYSA-N
XLogP1.86
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminoprop-1-enyl)-4-fluorophenyl]acetonitrile?
The IUPAC name of 2-[2-(3-aminoprop-1-enyl)-4-fluorophenyl]acetonitrile (CID 169463897) is 2-[2-(3-aminoprop-1-enyl)-4-fluorophenyl]acetonitrile.
What is the SMILES notation for 2-[2-(3-aminoprop-1-enyl)-4-fluorophenyl]acetonitrile?
The canonical SMILES for 2-[2-(3-aminoprop-1-enyl)-4-fluorophenyl]acetonitrile is N#CCc1ccc(F)cc1C=CCN.
What is the InChIKey of 2-[2-(3-aminoprop-1-enyl)-4-fluorophenyl]acetonitrile?
The InChIKey is IZBMGJBTISYRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c12-11-4-3-9(5-7-14)10(8-11)2-1-6-13/h1-4,8H,5-6,13H2.
What are the key properties of 2-[2-(3-aminoprop-1-enyl)-4-fluorophenyl]acetonitrile?
2-[2-(3-aminoprop-1-enyl)-4-fluorophenyl]acetonitrile has a molecular weight of 190.22 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminoprop-1-enyl)-4-fluorophenyl]acetonitrile is sourced from PubChem (CID 169463897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).