[(2S,3R,5R)-3-fluoro-3-methyl-4-propoxy-5-(propoxymethyl)oxolan-2-yl] acetate

C14H25FO5 — CID 90308509

IUPAC[(2S,3R,5R)-3-fluoro-3-methyl-4-propoxy-5-(propoxymethyl)oxolan-2-yl] acetate
SMILESCCCOC[C@H]1O[C@@H](OC(C)=O)[C@](C)(F)C1OCCC
InChIInChI=1S/C14H25FO5/c1-5-7-17-9-11-12(18-8-6-2)14(4,15)13(20-11)19-10(3)16/h11-13H,5-9H2,1-4H3/t11-,12?,13-,14-/m1/s1
InChIKeyWBFSVSDZXMBIJS-ZXCYLUJYSA-N
MW292.35 g/mol
LogP2.22
Rot. Bonds8

About [(2S,3R,5R)-3-fluoro-3-methyl-4-propoxy-5-(propoxymethyl)oxolan-2-yl] acetate

[(2S,3R,5R)-3-fluoro-3-methyl-4-propoxy-5-(propoxymethyl)oxolan-2-yl] acetate (PubChem CID 90308509) has the molecular formula C14H25FO5 and a molecular weight of 292.35 g/mol. Its IUPAC name is [(2S,3R,5R)-3-fluoro-3-methyl-4-propoxy-5-(propoxymethyl)oxolan-2-yl] acetate.

Molecular Properties

Compound Name[(2S,3R,5R)-3-fluoro-3-methyl-4-propoxy-5-(propoxymethyl)oxolan-2-yl] acetate
PubChem CID90308509
Molecular FormulaC14H25FO5
Molecular Weight292.35 g/mol
Exact Mass292.17
IUPAC Name[(2S,3R,5R)-3-fluoro-3-methyl-4-propoxy-5-(propoxymethyl)oxolan-2-yl] acetate
SMILESCCCOC[C@H]1O[C@@H](OC(C)=O)[C@](C)(F)C1OCCC
InChIInChI=1S/C14H25FO5/c1-5-7-17-9-11-12(18-8-6-2)14(4,15)13(20-11)19-10(3)16/h11-13H,5-9H2,1-4H3/t11-,12?,13-,14-/m1/s1
InChIKeyWBFSVSDZXMBIJS-ZXCYLUJYSA-N
XLogP2.22
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,5R)-3-fluoro-3-methyl-4-propoxy-5-(propoxymethyl)oxolan-2-yl] acetate?
The IUPAC name of [(2S,3R,5R)-3-fluoro-3-methyl-4-propoxy-5-(propoxymethyl)oxolan-2-yl] acetate (CID 90308509) is [(2S,3R,5R)-3-fluoro-3-methyl-4-propoxy-5-(propoxymethyl)oxolan-2-yl] acetate.
What is the SMILES notation for [(2S,3R,5R)-3-fluoro-3-methyl-4-propoxy-5-(propoxymethyl)oxolan-2-yl] acetate?
The canonical SMILES for [(2S,3R,5R)-3-fluoro-3-methyl-4-propoxy-5-(propoxymethyl)oxolan-2-yl] acetate is CCCOC[C@H]1O[C@@H](OC(C)=O)[C@](C)(F)C1OCCC.
What is the InChIKey of [(2S,3R,5R)-3-fluoro-3-methyl-4-propoxy-5-(propoxymethyl)oxolan-2-yl] acetate?
The InChIKey is WBFSVSDZXMBIJS-ZXCYLUJYSA-N. The full InChI is InChI=1S/C14H25FO5/c1-5-7-17-9-11-12(18-8-6-2)14(4,15)13(20-11)19-10(3)16/h11-13H,5-9H2,1-4H3/t11-,12?,13-,14-/m1/s1.
What are the key properties of [(2S,3R,5R)-3-fluoro-3-methyl-4-propoxy-5-(propoxymethyl)oxolan-2-yl] acetate?
[(2S,3R,5R)-3-fluoro-3-methyl-4-propoxy-5-(propoxymethyl)oxolan-2-yl] acetate has a molecular weight of 292.35 g/mol, XLogP of 2.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,5R)-3-fluoro-3-methyl-4-propoxy-5-(propoxymethyl)oxolan-2-yl] acetate is sourced from PubChem (CID 90308509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).