4-(2-fluorophenyl)iminopentan-2-one

C11H12FNO — CID 601407

IUPAC4-(2-fluorophenyl)iminopentan-2-one
SMILESCC(=O)C/C(C)=N/c1ccccc1F
InChIInChI=1S/C11H12FNO/c1-8(7-9(2)14)13-11-6-4-3-5-10(11)12/h3-6H,7H2,1-2H3/b13-8+
InChIKeyAXAJGFVBEKNINP-MDWZMJQESA-N
MW193.22 g/mol
LogP2.90
Rot. Bonds3

About 4-(2-fluorophenyl)iminopentan-2-one

4-(2-fluorophenyl)iminopentan-2-one (PubChem CID 601407) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 4-(2-fluorophenyl)iminopentan-2-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)iminopentan-2-one
PubChem CID601407
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name4-(2-fluorophenyl)iminopentan-2-one
SMILESCC(=O)C/C(C)=N/c1ccccc1F
InChIInChI=1S/C11H12FNO/c1-8(7-9(2)14)13-11-6-4-3-5-10(11)12/h3-6H,7H2,1-2H3/b13-8+
InChIKeyAXAJGFVBEKNINP-MDWZMJQESA-N
XLogP2.90
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)iminopentan-2-one?
The IUPAC name of 4-(2-fluorophenyl)iminopentan-2-one (CID 601407) is 4-(2-fluorophenyl)iminopentan-2-one.
What is the SMILES notation for 4-(2-fluorophenyl)iminopentan-2-one?
The canonical SMILES for 4-(2-fluorophenyl)iminopentan-2-one is CC(=O)C/C(C)=N/c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)iminopentan-2-one?
The InChIKey is AXAJGFVBEKNINP-MDWZMJQESA-N. The full InChI is InChI=1S/C11H12FNO/c1-8(7-9(2)14)13-11-6-4-3-5-10(11)12/h3-6H,7H2,1-2H3/b13-8+.
What are the key properties of 4-(2-fluorophenyl)iminopentan-2-one?
4-(2-fluorophenyl)iminopentan-2-one has a molecular weight of 193.22 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)iminopentan-2-one is sourced from PubChem (CID 601407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).