1-(4-fluorophenyl)-2-iminopropan-1-one

C9H8FNO — CID 89234980

IUPAC1-(4-fluorophenyl)-2-iminopropan-1-one
SMILES[H]/N=C(\C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C9H8FNO/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-5,11H,1H3/b11-6+
InChIKeyBCZUDKBTXALASV-IZZDOVSWSA-N
MW165.17 g/mol
LogP2.05
Rot. Bonds2

About 1-(4-fluorophenyl)-2-iminopropan-1-one

1-(4-fluorophenyl)-2-iminopropan-1-one (PubChem CID 89234980) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-iminopropan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-iminopropan-1-one
PubChem CID89234980
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name1-(4-fluorophenyl)-2-iminopropan-1-one
SMILES[H]/N=C(\C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C9H8FNO/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-5,11H,1H3/b11-6+
InChIKeyBCZUDKBTXALASV-IZZDOVSWSA-N
XLogP2.05
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-iminopropan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-iminopropan-1-one (CID 89234980) is 1-(4-fluorophenyl)-2-iminopropan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-iminopropan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-iminopropan-1-one is [H]/N=C(\C)C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-iminopropan-1-one?
The InChIKey is BCZUDKBTXALASV-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H8FNO/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-5,11H,1H3/b11-6+.
What are the key properties of 1-(4-fluorophenyl)-2-iminopropan-1-one?
1-(4-fluorophenyl)-2-iminopropan-1-one has a molecular weight of 165.17 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-iminopropan-1-one is sourced from PubChem (CID 89234980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).