[(5S)-5-fluorooxan-2-yl] acetate

C7H11FO3 — CID 101272086

IUPAC[(5S)-5-fluorooxan-2-yl] acetate
SMILESCC(=O)OC1CC[C@H](F)CO1
InChIInChI=1S/C7H11FO3/c1-5(9)11-7-3-2-6(8)4-10-7/h6-7H,2-4H2,1H3/t6-,7?/m0/s1
InChIKeyUWAHHRDOYJPJGK-PKPIPKONSA-N
MW162.16 g/mol
LogP1.02
Rot. Bonds1

About [(5S)-5-fluorooxan-2-yl] acetate

[(5S)-5-fluorooxan-2-yl] acetate (PubChem CID 101272086) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is [(5S)-5-fluorooxan-2-yl] acetate.

Molecular Properties

Compound Name[(5S)-5-fluorooxan-2-yl] acetate
PubChem CID101272086
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name[(5S)-5-fluorooxan-2-yl] acetate
SMILESCC(=O)OC1CC[C@H](F)CO1
InChIInChI=1S/C7H11FO3/c1-5(9)11-7-3-2-6(8)4-10-7/h6-7H,2-4H2,1H3/t6-,7?/m0/s1
InChIKeyUWAHHRDOYJPJGK-PKPIPKONSA-N
XLogP1.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(5S)-5-fluorooxan-2-yl] acetate?
The IUPAC name of [(5S)-5-fluorooxan-2-yl] acetate (CID 101272086) is [(5S)-5-fluorooxan-2-yl] acetate.
What is the SMILES notation for [(5S)-5-fluorooxan-2-yl] acetate?
The canonical SMILES for [(5S)-5-fluorooxan-2-yl] acetate is CC(=O)OC1CC[C@H](F)CO1.
What is the InChIKey of [(5S)-5-fluorooxan-2-yl] acetate?
The InChIKey is UWAHHRDOYJPJGK-PKPIPKONSA-N. The full InChI is InChI=1S/C7H11FO3/c1-5(9)11-7-3-2-6(8)4-10-7/h6-7H,2-4H2,1H3/t6-,7?/m0/s1.
What are the key properties of [(5S)-5-fluorooxan-2-yl] acetate?
[(5S)-5-fluorooxan-2-yl] acetate has a molecular weight of 162.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-fluorooxan-2-yl] acetate is sourced from PubChem (CID 101272086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).