6-(2-fluorophenyl)-5-(propan-2-ylideneamino)hexan-3-one

C15H20FNO — CID 123362883

IUPAC6-(2-fluorophenyl)-5-(propan-2-ylideneamino)hexan-3-one
SMILESCCC(=O)CC(Cc1ccccc1F)N=C(C)C
InChIInChI=1S/C15H20FNO/c1-4-14(18)10-13(17-11(2)3)9-12-7-5-6-8-15(12)16/h5-8,13H,4,9-10H2,1-3H3
InChIKeyWLALKRMZSHJZTO-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.59
Rot. Bonds6

About 6-(2-fluorophenyl)-5-(propan-2-ylideneamino)hexan-3-one

6-(2-fluorophenyl)-5-(propan-2-ylideneamino)hexan-3-one (PubChem CID 123362883) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-5-(propan-2-ylideneamino)hexan-3-one.

Molecular Properties

Compound Name6-(2-fluorophenyl)-5-(propan-2-ylideneamino)hexan-3-one
PubChem CID123362883
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name6-(2-fluorophenyl)-5-(propan-2-ylideneamino)hexan-3-one
SMILESCCC(=O)CC(Cc1ccccc1F)N=C(C)C
InChIInChI=1S/C15H20FNO/c1-4-14(18)10-13(17-11(2)3)9-12-7-5-6-8-15(12)16/h5-8,13H,4,9-10H2,1-3H3
InChIKeyWLALKRMZSHJZTO-UHFFFAOYSA-N
XLogP3.59
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.59
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 6-(2-fluorophenyl)-5-(propan-2-ylideneamino)hexan-3-one?
The IUPAC name of 6-(2-fluorophenyl)-5-(propan-2-ylideneamino)hexan-3-one (CID 123362883) is 6-(2-fluorophenyl)-5-(propan-2-ylideneamino)hexan-3-one.
What is the SMILES notation for 6-(2-fluorophenyl)-5-(propan-2-ylideneamino)hexan-3-one?
The canonical SMILES for 6-(2-fluorophenyl)-5-(propan-2-ylideneamino)hexan-3-one is CCC(=O)CC(Cc1ccccc1F)N=C(C)C.
What is the InChIKey of 6-(2-fluorophenyl)-5-(propan-2-ylideneamino)hexan-3-one?
The InChIKey is WLALKRMZSHJZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-4-14(18)10-13(17-11(2)3)9-12-7-5-6-8-15(12)16/h5-8,13H,4,9-10H2,1-3H3.
What are the key properties of 6-(2-fluorophenyl)-5-(propan-2-ylideneamino)hexan-3-one?
6-(2-fluorophenyl)-5-(propan-2-ylideneamino)hexan-3-one has a molecular weight of 249.33 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-5-(propan-2-ylideneamino)hexan-3-one is sourced from PubChem (CID 123362883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).