(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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Related Compounds

3,4-dibutoxy-5-(butoxymethyl)oxolan-2-ol
CID 77157010
(3R,4R,5R)-3,4-dibutoxy-5-(butoxymethyl)oxolan-2-ol
CID 66641660
[(2R)-4,5-diacetyloxy-2-(butoxymethyl)-4-(fluoromethyl)oxolan-3-yl] acetate
CID 130425865
(2R,3S,4S,5R,6R)-3,4,5-tributoxy-2-(butoxymethyl)-6-(fluoromethyl)oxane
CID 71157142
(3S,4S,5R,6R)-4,5-dibutoxy-6-(butoxymethyl)-3-methyloxan-3-ol
CID 118528134
[(2S)-3-(butoxymethyl)oxiran-2-yl]methanol
CID 89194716
[(2S,3S,5R)-4-butoxy-5-(butoxymethyl)-3-fluorooxolan-2-yl] acetate
CID 90339252
(2R,3R,4S,5R,6R,7R)-5,6-dibutoxy-7-(butoxymethyl)-2-methoxyoxepane-3,4-diol
CID 71171695
(3S,5S,6R)-2-(butoxymethyl)-4,5,6-trimethyloxan-3-ol
CID 167593044
(2R,5S)-5-azido-4-butoxy-6-(butoxymethyl)oxane-2,3-diol
CID 173485082
N-[(3S,4R,5S,6R)-4,5-dibutoxy-6-(butoxymethyl)-2-hydroxyoxan-3-yl]acetamide
CID 54765523
1-[(2R,3R,4R,5R)-3,4-dibutoxy-5-(butoxymethyl)-3-(fluoromethyl)oxolan-2-yl]-4-methylpyrimidin-2-one
CID 118016696

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).