(6S)-6-(4-fluorophenyl)oxan-2-one

C11H11FO2 — CID 56598080

IUPAC(6S)-6-(4-fluorophenyl)oxan-2-one
SMILESO=C1CCC[C@@H](c2ccc(F)cc2)O1
InChIInChI=1S/C11H11FO2/c12-9-6-4-8(5-7-9)10-2-1-3-11(13)14-10/h4-7,10H,1-3H2/t10-/m0/s1
InChIKeyXOJJSCKFUDKCEM-JTQLQIEISA-N
MW194.21 g/mol
LogP2.59
Rot. Bonds1

About (6S)-6-(4-fluorophenyl)oxan-2-one

(6S)-6-(4-fluorophenyl)oxan-2-one (PubChem CID 56598080) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is (6S)-6-(4-fluorophenyl)oxan-2-one.

Molecular Properties

Compound Name(6S)-6-(4-fluorophenyl)oxan-2-one
PubChem CID56598080
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name(6S)-6-(4-fluorophenyl)oxan-2-one
SMILESO=C1CCC[C@@H](c2ccc(F)cc2)O1
InChIInChI=1S/C11H11FO2/c12-9-6-4-8(5-7-9)10-2-1-3-11(13)14-10/h4-7,10H,1-3H2/t10-/m0/s1
InChIKeyXOJJSCKFUDKCEM-JTQLQIEISA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-fluorophenyl)oxan-2-one?
The IUPAC name of (6S)-6-(4-fluorophenyl)oxan-2-one (CID 56598080) is (6S)-6-(4-fluorophenyl)oxan-2-one.
What is the SMILES notation for (6S)-6-(4-fluorophenyl)oxan-2-one?
The canonical SMILES for (6S)-6-(4-fluorophenyl)oxan-2-one is O=C1CCC[C@@H](c2ccc(F)cc2)O1.
What is the InChIKey of (6S)-6-(4-fluorophenyl)oxan-2-one?
The InChIKey is XOJJSCKFUDKCEM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11FO2/c12-9-6-4-8(5-7-9)10-2-1-3-11(13)14-10/h4-7,10H,1-3H2/t10-/m0/s1.
What are the key properties of (6S)-6-(4-fluorophenyl)oxan-2-one?
(6S)-6-(4-fluorophenyl)oxan-2-one has a molecular weight of 194.21 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-fluorophenyl)oxan-2-one is sourced from PubChem (CID 56598080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).