1-[3-[(Z)-1-aminoprop-1-enyl]-4-fluorophenyl]ethanone

C11H12FNO — CID 89143260

IUPAC1-[3-[(Z)-1-aminoprop-1-enyl]-4-fluorophenyl]ethanone
SMILESC/C=C(\N)c1cc(C(C)=O)ccc1F
InChIInChI=1S/C11H12FNO/c1-3-11(13)9-6-8(7(2)14)4-5-10(9)12/h3-6H,13H2,1-2H3/b11-3-
InChIKeyMYEPJILWBWJUAS-JYOAFUTRSA-N
MW193.22 g/mol
LogP2.35
Rot. Bonds2

About 1-[3-[(Z)-1-aminoprop-1-enyl]-4-fluorophenyl]ethanone

1-[3-[(Z)-1-aminoprop-1-enyl]-4-fluorophenyl]ethanone (PubChem CID 89143260) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 1-[3-[(Z)-1-aminoprop-1-enyl]-4-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(Z)-1-aminoprop-1-enyl]-4-fluorophenyl]ethanone
PubChem CID89143260
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name1-[3-[(Z)-1-aminoprop-1-enyl]-4-fluorophenyl]ethanone
SMILESC/C=C(\N)c1cc(C(C)=O)ccc1F
InChIInChI=1S/C11H12FNO/c1-3-11(13)9-6-8(7(2)14)4-5-10(9)12/h3-6H,13H2,1-2H3/b11-3-
InChIKeyMYEPJILWBWJUAS-JYOAFUTRSA-N
XLogP2.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(Z)-1-aminoprop-1-enyl]-4-fluorophenyl]ethanone?
The IUPAC name of 1-[3-[(Z)-1-aminoprop-1-enyl]-4-fluorophenyl]ethanone (CID 89143260) is 1-[3-[(Z)-1-aminoprop-1-enyl]-4-fluorophenyl]ethanone.
What is the SMILES notation for 1-[3-[(Z)-1-aminoprop-1-enyl]-4-fluorophenyl]ethanone?
The canonical SMILES for 1-[3-[(Z)-1-aminoprop-1-enyl]-4-fluorophenyl]ethanone is C/C=C(\N)c1cc(C(C)=O)ccc1F.
What is the InChIKey of 1-[3-[(Z)-1-aminoprop-1-enyl]-4-fluorophenyl]ethanone?
The InChIKey is MYEPJILWBWJUAS-JYOAFUTRSA-N. The full InChI is InChI=1S/C11H12FNO/c1-3-11(13)9-6-8(7(2)14)4-5-10(9)12/h3-6H,13H2,1-2H3/b11-3-.
What are the key properties of 1-[3-[(Z)-1-aminoprop-1-enyl]-4-fluorophenyl]ethanone?
1-[3-[(Z)-1-aminoprop-1-enyl]-4-fluorophenyl]ethanone has a molecular weight of 193.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(Z)-1-aminoprop-1-enyl]-4-fluorophenyl]ethanone is sourced from PubChem (CID 89143260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).