1-(2-fluorophenyl)butan-1-one;2-propoxybutane

C17H27FO2 — CID 156796432

IUPAC1-(2-fluorophenyl)butan-1-one;2-propoxybutane
SMILESCCCC(=O)c1ccccc1F.CCCOC(C)CC
InChIInChI=1S/C10H11FO.C7H16O/c1-2-5-10(12)8-6-3-4-7-9(8)11;1-4-6-8-7(3)5-2/h3-4,6-7H,2,5H2,1H3;7H,4-6H2,1-3H3
InChIKeyPPJWZTJCJGMKFB-UHFFFAOYSA-N
MW282.40 g/mol
LogP5.02
Rot. Bonds7

About 1-(2-fluorophenyl)butan-1-one;2-propoxybutane

1-(2-fluorophenyl)butan-1-one;2-propoxybutane (PubChem CID 156796432) has the molecular formula C17H27FO2 and a molecular weight of 282.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)butan-1-one;2-propoxybutane.

Molecular Properties

Compound Name1-(2-fluorophenyl)butan-1-one;2-propoxybutane
PubChem CID156796432
Molecular FormulaC17H27FO2
Molecular Weight282.40 g/mol
Exact Mass282.20
IUPAC Name1-(2-fluorophenyl)butan-1-one;2-propoxybutane
SMILESCCCC(=O)c1ccccc1F.CCCOC(C)CC
InChIInChI=1S/C10H11FO.C7H16O/c1-2-5-10(12)8-6-3-4-7-9(8)11;1-4-6-8-7(3)5-2/h3-4,6-7H,2,5H2,1H3;7H,4-6H2,1-3H3
InChIKeyPPJWZTJCJGMKFB-UHFFFAOYSA-N
XLogP5.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.40
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)butan-1-one;2-propoxybutane?
The IUPAC name of 1-(2-fluorophenyl)butan-1-one;2-propoxybutane (CID 156796432) is 1-(2-fluorophenyl)butan-1-one;2-propoxybutane.
What is the SMILES notation for 1-(2-fluorophenyl)butan-1-one;2-propoxybutane?
The canonical SMILES for 1-(2-fluorophenyl)butan-1-one;2-propoxybutane is CCCC(=O)c1ccccc1F.CCCOC(C)CC.
What is the InChIKey of 1-(2-fluorophenyl)butan-1-one;2-propoxybutane?
The InChIKey is PPJWZTJCJGMKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO.C7H16O/c1-2-5-10(12)8-6-3-4-7-9(8)11;1-4-6-8-7(3)5-2/h3-4,6-7H,2,5H2,1H3;7H,4-6H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)butan-1-one;2-propoxybutane?
1-(2-fluorophenyl)butan-1-one;2-propoxybutane has a molecular weight of 282.40 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)butan-1-one;2-propoxybutane is sourced from PubChem (CID 156796432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).