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

C16H22FNO — CID 91118469

IUPAC6-(2-fluorophenyl)-2-methyl-5-(propan-2-ylideneamino)hexan-3-one
SMILESCC(C)=NC(CC(=O)C(C)C)Cc1ccccc1F
InChIInChI=1S/C16H22FNO/c1-11(2)16(19)10-14(18-12(3)4)9-13-7-5-6-8-15(13)17/h5-8,11,14H,9-10H2,1-4H3
InChIKeyDWVZWZPOACJRKG-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.83
Rot. Bonds6

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

6-(2-fluorophenyl)-2-methyl-5-(propan-2-ylideneamino)hexan-3-one (PubChem CID 91118469) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-2-methyl-5-(propan-2-ylideneamino)hexan-3-one.

Molecular Properties

Compound Name6-(2-fluorophenyl)-2-methyl-5-(propan-2-ylideneamino)hexan-3-one
PubChem CID91118469
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name6-(2-fluorophenyl)-2-methyl-5-(propan-2-ylideneamino)hexan-3-one
SMILESCC(C)=NC(CC(=O)C(C)C)Cc1ccccc1F
InChIInChI=1S/C16H22FNO/c1-11(2)16(19)10-14(18-12(3)4)9-13-7-5-6-8-15(13)17/h5-8,11,14H,9-10H2,1-4H3
InChIKeyDWVZWZPOACJRKG-UHFFFAOYSA-N
XLogP3.83
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.83
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)-2-methyl-5-(propan-2-ylideneamino)hexan-3-one?
The IUPAC name of 6-(2-fluorophenyl)-2-methyl-5-(propan-2-ylideneamino)hexan-3-one (CID 91118469) is 6-(2-fluorophenyl)-2-methyl-5-(propan-2-ylideneamino)hexan-3-one.
What is the SMILES notation for 6-(2-fluorophenyl)-2-methyl-5-(propan-2-ylideneamino)hexan-3-one?
The canonical SMILES for 6-(2-fluorophenyl)-2-methyl-5-(propan-2-ylideneamino)hexan-3-one is CC(C)=NC(CC(=O)C(C)C)Cc1ccccc1F.
What is the InChIKey of 6-(2-fluorophenyl)-2-methyl-5-(propan-2-ylideneamino)hexan-3-one?
The InChIKey is DWVZWZPOACJRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-11(2)16(19)10-14(18-12(3)4)9-13-7-5-6-8-15(13)17/h5-8,11,14H,9-10H2,1-4H3.
What are the key properties of 6-(2-fluorophenyl)-2-methyl-5-(propan-2-ylideneamino)hexan-3-one?
6-(2-fluorophenyl)-2-methyl-5-(propan-2-ylideneamino)hexan-3-one has a molecular weight of 263.36 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-2-methyl-5-(propan-2-ylideneamino)hexan-3-one is sourced from PubChem (CID 91118469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).