(4-fluoro-5-propyloxolan-2-yl) acetate

C9H15FO3 — CID 156747468

IUPAC(4-fluoro-5-propyloxolan-2-yl) acetate
SMILESCCCC1OC(OC(C)=O)CC1F
InChIInChI=1S/C9H15FO3/c1-3-4-8-7(10)5-9(13-8)12-6(2)11/h7-9H,3-5H2,1-2H3
InChIKeyKLUSKMVAIGPBOB-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.80
Rot. Bonds3

About (4-fluoro-5-propyloxolan-2-yl) acetate

(4-fluoro-5-propyloxolan-2-yl) acetate (PubChem CID 156747468) has the molecular formula C9H15FO3 and a molecular weight of 190.21 g/mol. Its IUPAC name is (4-fluoro-5-propyloxolan-2-yl) acetate.

Molecular Properties

Compound Name(4-fluoro-5-propyloxolan-2-yl) acetate
PubChem CID156747468
Molecular FormulaC9H15FO3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name(4-fluoro-5-propyloxolan-2-yl) acetate
SMILESCCCC1OC(OC(C)=O)CC1F
InChIInChI=1S/C9H15FO3/c1-3-4-8-7(10)5-9(13-8)12-6(2)11/h7-9H,3-5H2,1-2H3
InChIKeyKLUSKMVAIGPBOB-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-5-propyloxolan-2-yl) acetate?
The IUPAC name of (4-fluoro-5-propyloxolan-2-yl) acetate (CID 156747468) is (4-fluoro-5-propyloxolan-2-yl) acetate.
What is the SMILES notation for (4-fluoro-5-propyloxolan-2-yl) acetate?
The canonical SMILES for (4-fluoro-5-propyloxolan-2-yl) acetate is CCCC1OC(OC(C)=O)CC1F.
What is the InChIKey of (4-fluoro-5-propyloxolan-2-yl) acetate?
The InChIKey is KLUSKMVAIGPBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO3/c1-3-4-8-7(10)5-9(13-8)12-6(2)11/h7-9H,3-5H2,1-2H3.
What are the key properties of (4-fluoro-5-propyloxolan-2-yl) acetate?
(4-fluoro-5-propyloxolan-2-yl) acetate has a molecular weight of 190.21 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-5-propyloxolan-2-yl) acetate is sourced from PubChem (CID 156747468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).