2-(1-amino-2-oxopropyl)-6-fluorobenzonitrile

C10H9FN2O — CID 55296124

IUPAC2-(1-amino-2-oxopropyl)-6-fluorobenzonitrile
SMILESCC(=O)C(N)c1cccc(F)c1C#N
InChIInChI=1S/C10H9FN2O/c1-6(14)10(13)7-3-2-4-9(11)8(7)5-12/h2-4,10H,13H2,1H3
InChIKeyJXYVKGKEHPWGTR-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.29
Rot. Bonds2

About 2-(1-amino-2-oxopropyl)-6-fluorobenzonitrile

2-(1-amino-2-oxopropyl)-6-fluorobenzonitrile (PubChem CID 55296124) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-(1-amino-2-oxopropyl)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(1-amino-2-oxopropyl)-6-fluorobenzonitrile
PubChem CID55296124
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name2-(1-amino-2-oxopropyl)-6-fluorobenzonitrile
SMILESCC(=O)C(N)c1cccc(F)c1C#N
InChIInChI=1S/C10H9FN2O/c1-6(14)10(13)7-3-2-4-9(11)8(7)5-12/h2-4,10H,13H2,1H3
InChIKeyJXYVKGKEHPWGTR-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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Related Compounds

methyl 2-cyano-2-(2-cyano-3-fluorophenyl)acetate
CID 146625013
2-fluoro-6-propan-2-ylbenzonitrile
CID 59589078
2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile
CID 55274364
2-(1-cyanopropyl)-6-fluorobenzonitrile
CID 130134605
5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile
CID 55296121
1-amino-1-(2-amino-6-fluorophenyl)propan-2-one
CID 55293837
2-fluoro-6-(2-methylprop-2-enoyl)benzonitrile
CID 130136976
1-amino-1-(2-methylphenyl)propan-2-one
CID 55295097
methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate
CID 103337913
2-amino-N-(2-cyano-3-fluorophenyl)-4-methylpentanamide
CID 43580760
2-[(S)-cyano-(4-fluorophenyl)methyl]-6-fluorobenzonitrile
CID 6933606
2-amino-N-(2-cyano-3-fluorophenyl)-3-methoxypropanamide
CID 81081464

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-oxopropyl)-6-fluorobenzonitrile?
The IUPAC name of 2-(1-amino-2-oxopropyl)-6-fluorobenzonitrile (CID 55296124) is 2-(1-amino-2-oxopropyl)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(1-amino-2-oxopropyl)-6-fluorobenzonitrile?
The canonical SMILES for 2-(1-amino-2-oxopropyl)-6-fluorobenzonitrile is CC(=O)C(N)c1cccc(F)c1C#N.
What is the InChIKey of 2-(1-amino-2-oxopropyl)-6-fluorobenzonitrile?
The InChIKey is JXYVKGKEHPWGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-6(14)10(13)7-3-2-4-9(11)8(7)5-12/h2-4,10H,13H2,1H3.
What are the key properties of 2-(1-amino-2-oxopropyl)-6-fluorobenzonitrile?
2-(1-amino-2-oxopropyl)-6-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 2-(1-amino-2-oxopropyl)-6-fluorobenzonitrile is sourced from PubChem (CID 55296124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).