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

C15H28F2O4 — CID 90339213

IUPAC(2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)-2-methoxyoxolane
SMILESCCCCOC[C@H]1O[C@@H](OC)[C@@](F)(CF)C1OCCCC
InChIInChI=1S/C15H28F2O4/c1-4-6-8-19-10-12-13(20-9-7-5-2)15(17,11-16)14(18-3)21-12/h12-14H,4-11H2,1-3H3/t12-,13?,14-,15-/m1/s1
InChIKeyAKAFEPNPYVACNJ-RNLVXLIHSA-N
MW310.38 g/mol
LogP3.04
Rot. Bonds11

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

(2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)-2-methoxyoxolane (PubChem CID 90339213) has the molecular formula C15H28F2O4 and a molecular weight of 310.38 g/mol. Its IUPAC name is (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)-2-methoxyoxolane.

Molecular Properties

Compound Name(2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)-2-methoxyoxolane
PubChem CID90339213
Molecular FormulaC15H28F2O4
Molecular Weight310.38 g/mol
Exact Mass310.20
IUPAC Name(2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)-2-methoxyoxolane
SMILESCCCCOC[C@H]1O[C@@H](OC)[C@@](F)(CF)C1OCCCC
InChIInChI=1S/C15H28F2O4/c1-4-6-8-19-10-12-13(20-9-7-5-2)15(17,11-16)14(18-3)21-12/h12-14H,4-11H2,1-3H3/t12-,13?,14-,15-/m1/s1
InChIKeyAKAFEPNPYVACNJ-RNLVXLIHSA-N
XLogP3.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.04
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,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)-2-methoxyoxolane?
The IUPAC name of (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)-2-methoxyoxolane (CID 90339213) is (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)-2-methoxyoxolane.
What is the SMILES notation for (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)-2-methoxyoxolane?
The canonical SMILES for (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)-2-methoxyoxolane is CCCCOC[C@H]1O[C@@H](OC)[C@@](F)(CF)C1OCCCC.
What is the InChIKey of (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)-2-methoxyoxolane?
The InChIKey is AKAFEPNPYVACNJ-RNLVXLIHSA-N. The full InChI is InChI=1S/C15H28F2O4/c1-4-6-8-19-10-12-13(20-9-7-5-2)15(17,11-16)14(18-3)21-12/h12-14H,4-11H2,1-3H3/t12-,13?,14-,15-/m1/s1.
What are the key properties of (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)-2-methoxyoxolane?
(2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-3-(fluoromethyl)-2-methoxyoxolane has a molecular weight of 310.38 g/mol, XLogP of 3.04, 11 rotatable bonds, 0 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)-2-methoxyoxolane is sourced from PubChem (CID 90339213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).