5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile

C10H9FN2O — CID 55296121

IUPAC5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile
SMILESCC(=O)C(N)c1ccc(F)c(C#N)c1
InChIInChI=1S/C10H9FN2O/c1-6(14)10(13)7-2-3-9(11)8(4-7)5-12/h2-4,10H,13H2,1H3
InChIKeyIOGUWUKRLCDPKB-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.29
Rot. Bonds2

About 5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile

5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile (PubChem CID 55296121) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile
PubChem CID55296121
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile
SMILESCC(=O)C(N)c1ccc(F)c(C#N)c1
InChIInChI=1S/C10H9FN2O/c1-6(14)10(13)7-2-3-9(11)8(4-7)5-12/h2-4,10H,13H2,1H3
InChIKeyIOGUWUKRLCDPKB-UHFFFAOYSA-N
XLogP1.29
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile?
The IUPAC name of 5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile (CID 55296121) is 5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile.
What is the SMILES notation for 5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile?
The canonical SMILES for 5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile is CC(=O)C(N)c1ccc(F)c(C#N)c1.
What is the InChIKey of 5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile?
The InChIKey is IOGUWUKRLCDPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-6(14)10(13)7-2-3-9(11)8(4-7)5-12/h2-4,10H,13H2,1H3.
What are the key properties of 5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile?
5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile has a molecular weight of 192.19 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile is sourced from PubChem (CID 55296121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).