(2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)oxolan-2-ol

C14H26F2O4 — CID 90339210

IUPAC(2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)oxolan-2-ol
SMILESCCCCOC[C@H]1O[C@@H](O)[C@@](F)(CF)C1OCCCC
InChIInChI=1S/C14H26F2O4/c1-3-5-7-18-9-11-12(19-8-6-4-2)14(16,10-15)13(17)20-11/h11-13,17H,3-10H2,1-2H3/t11-,12?,13-,14-/m1/s1
InChIKeyRGYZSEAXNLXFOF-ZXCYLUJYSA-N
MW296.35 g/mol
LogP2.38
Rot. Bonds10

About (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)oxolan-2-ol

(2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)oxolan-2-ol (PubChem CID 90339210) has the molecular formula C14H26F2O4 and a molecular weight of 296.35 g/mol. Its IUPAC name is (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)oxolan-2-ol.

Molecular Properties

Compound Name(2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)oxolan-2-ol
PubChem CID90339210
Molecular FormulaC14H26F2O4
Molecular Weight296.35 g/mol
Exact Mass296.18
IUPAC Name(2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)oxolan-2-ol
SMILESCCCCOC[C@H]1O[C@@H](O)[C@@](F)(CF)C1OCCCC
InChIInChI=1S/C14H26F2O4/c1-3-5-7-18-9-11-12(19-8-6-4-2)14(16,10-15)13(17)20-11/h11-13,17H,3-10H2,1-2H3/t11-,12?,13-,14-/m1/s1
InChIKeyRGYZSEAXNLXFOF-ZXCYLUJYSA-N
XLogP2.38
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)oxolan-2-ol?
The IUPAC name of (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)oxolan-2-ol (CID 90339210) is (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)oxolan-2-ol.
What is the SMILES notation for (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)oxolan-2-ol?
The canonical SMILES for (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)oxolan-2-ol is CCCCOC[C@H]1O[C@@H](O)[C@@](F)(CF)C1OCCCC.
What is the InChIKey of (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)oxolan-2-ol?
The InChIKey is RGYZSEAXNLXFOF-ZXCYLUJYSA-N. The full InChI is InChI=1S/C14H26F2O4/c1-3-5-7-18-9-11-12(19-8-6-4-2)14(16,10-15)13(17)20-11/h11-13,17H,3-10H2,1-2H3/t11-,12?,13-,14-/m1/s1.
What are the key properties of (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)oxolan-2-ol?
(2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)oxolan-2-ol has a molecular weight of 296.35 g/mol, XLogP of 2.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)oxolan-2-ol is sourced from PubChem (CID 90339210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).