(2R,4S,5R)-3-butoxy-2-(butoxymethyl)-4-fluoro-5-methoxyoxolane

C14H27FO4 — CID 90339321

IUPAC(2R,4S,5R)-3-butoxy-2-(butoxymethyl)-4-fluoro-5-methoxyoxolane
SMILESCCCCOC[C@H]1O[C@@H](OC)[C@@H](F)C1OCCCC
InChIInChI=1S/C14H27FO4/c1-4-6-8-17-10-11-13(18-9-7-5-2)12(15)14(16-3)19-11/h11-14H,4-10H2,1-3H3/t11-,12+,13?,14-/m1/s1
InChIKeyBNOMDIJISDRZIT-QNMSZWNNSA-N
MW278.36 g/mol
LogP2.70
Rot. Bonds10

About (2R,4S,5R)-3-butoxy-2-(butoxymethyl)-4-fluoro-5-methoxyoxolane

(2R,4S,5R)-3-butoxy-2-(butoxymethyl)-4-fluoro-5-methoxyoxolane (PubChem CID 90339321) has the molecular formula C14H27FO4 and a molecular weight of 278.36 g/mol. Its IUPAC name is (2R,4S,5R)-3-butoxy-2-(butoxymethyl)-4-fluoro-5-methoxyoxolane.

Molecular Properties

Compound Name(2R,4S,5R)-3-butoxy-2-(butoxymethyl)-4-fluoro-5-methoxyoxolane
PubChem CID90339321
Molecular FormulaC14H27FO4
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name(2R,4S,5R)-3-butoxy-2-(butoxymethyl)-4-fluoro-5-methoxyoxolane
SMILESCCCCOC[C@H]1O[C@@H](OC)[C@@H](F)C1OCCCC
InChIInChI=1S/C14H27FO4/c1-4-6-8-17-10-11-13(18-9-7-5-2)12(15)14(16-3)19-11/h11-14H,4-10H2,1-3H3/t11-,12+,13?,14-/m1/s1
InChIKeyBNOMDIJISDRZIT-QNMSZWNNSA-N
XLogP2.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
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,4S,5R)-3-butoxy-2-(butoxymethyl)-4-fluoro-5-methoxyoxolane?
The IUPAC name of (2R,4S,5R)-3-butoxy-2-(butoxymethyl)-4-fluoro-5-methoxyoxolane (CID 90339321) is (2R,4S,5R)-3-butoxy-2-(butoxymethyl)-4-fluoro-5-methoxyoxolane.
What is the SMILES notation for (2R,4S,5R)-3-butoxy-2-(butoxymethyl)-4-fluoro-5-methoxyoxolane?
The canonical SMILES for (2R,4S,5R)-3-butoxy-2-(butoxymethyl)-4-fluoro-5-methoxyoxolane is CCCCOC[C@H]1O[C@@H](OC)[C@@H](F)C1OCCCC.
What is the InChIKey of (2R,4S,5R)-3-butoxy-2-(butoxymethyl)-4-fluoro-5-methoxyoxolane?
The InChIKey is BNOMDIJISDRZIT-QNMSZWNNSA-N. The full InChI is InChI=1S/C14H27FO4/c1-4-6-8-17-10-11-13(18-9-7-5-2)12(15)14(16-3)19-11/h11-14H,4-10H2,1-3H3/t11-,12+,13?,14-/m1/s1.
What are the key properties of (2R,4S,5R)-3-butoxy-2-(butoxymethyl)-4-fluoro-5-methoxyoxolane?
(2R,4S,5R)-3-butoxy-2-(butoxymethyl)-4-fluoro-5-methoxyoxolane has a molecular weight of 278.36 g/mol, XLogP of 2.70, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-3-butoxy-2-(butoxymethyl)-4-fluoro-5-methoxyoxolane is sourced from PubChem (CID 90339321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).