1-(4-fluorophenyl)-4-hydroxybutan-1-one

C10H11FO2 — CID 16769876

IUPAC1-(4-fluorophenyl)-4-hydroxybutan-1-one
SMILESO=C(CCCO)c1ccc(F)cc1
InChIInChI=1S/C10H11FO2/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6,12H,1-2,7H2
InChIKeyZCDDMISRNWSZPY-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.78
Rot. Bonds4

About 1-(4-fluorophenyl)-4-hydroxybutan-1-one

1-(4-fluorophenyl)-4-hydroxybutan-1-one (PubChem CID 16769876) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-hydroxybutan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-hydroxybutan-1-one
PubChem CID16769876
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name1-(4-fluorophenyl)-4-hydroxybutan-1-one
SMILESO=C(CCCO)c1ccc(F)cc1
InChIInChI=1S/C10H11FO2/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6,12H,1-2,7H2
InChIKeyZCDDMISRNWSZPY-UHFFFAOYSA-N
XLogP1.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-hydroxybutan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-hydroxybutan-1-one (CID 16769876) is 1-(4-fluorophenyl)-4-hydroxybutan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-hydroxybutan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-hydroxybutan-1-one is O=C(CCCO)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-hydroxybutan-1-one?
The InChIKey is ZCDDMISRNWSZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6,12H,1-2,7H2.
What are the key properties of 1-(4-fluorophenyl)-4-hydroxybutan-1-one?
1-(4-fluorophenyl)-4-hydroxybutan-1-one has a molecular weight of 182.19 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-hydroxybutan-1-one is sourced from PubChem (CID 16769876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).