(2R,3S,4S,5R)-4-(2-fluoroethoxy)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane

C15H29FO4 — CID 58061995

IUPAC(2R,3S,4S,5R)-4-(2-fluoroethoxy)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane
SMILESCC(C)OC[C@H]1OC[C@@H](C)[C@H](OCCF)[C@@H]1OC(C)C
InChIInChI=1S/C15H29FO4/c1-10(2)18-9-13-15(20-11(3)4)14(17-7-6-16)12(5)8-19-13/h10-15H,6-9H2,1-5H3/t12-,13-,14+,15-/m1/s1
InChIKeyATQNZIQODIPXDB-APIJFGDWSA-N
MW292.39 g/mol
LogP2.59
Rot. Bonds8

About (2R,3S,4S,5R)-4-(2-fluoroethoxy)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane

(2R,3S,4S,5R)-4-(2-fluoroethoxy)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane (PubChem CID 58061995) has the molecular formula C15H29FO4 and a molecular weight of 292.39 g/mol. Its IUPAC name is (2R,3S,4S,5R)-4-(2-fluoroethoxy)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane.

Molecular Properties

Compound Name(2R,3S,4S,5R)-4-(2-fluoroethoxy)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane
PubChem CID58061995
Molecular FormulaC15H29FO4
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name(2R,3S,4S,5R)-4-(2-fluoroethoxy)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane
SMILESCC(C)OC[C@H]1OC[C@@H](C)[C@H](OCCF)[C@@H]1OC(C)C
InChIInChI=1S/C15H29FO4/c1-10(2)18-9-13-15(20-11(3)4)14(17-7-6-16)12(5)8-19-13/h10-15H,6-9H2,1-5H3/t12-,13-,14+,15-/m1/s1
InChIKeyATQNZIQODIPXDB-APIJFGDWSA-N
XLogP2.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,3S,4S,5R)-4-(2-fluoroethoxy)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-4-(2-fluoroethoxy)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane?
The IUPAC name of (2R,3S,4S,5R)-4-(2-fluoroethoxy)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane (CID 58061995) is (2R,3S,4S,5R)-4-(2-fluoroethoxy)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane.
What is the SMILES notation for (2R,3S,4S,5R)-4-(2-fluoroethoxy)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane?
The canonical SMILES for (2R,3S,4S,5R)-4-(2-fluoroethoxy)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane is CC(C)OC[C@H]1OC[C@@H](C)[C@H](OCCF)[C@@H]1OC(C)C.
What is the InChIKey of (2R,3S,4S,5R)-4-(2-fluoroethoxy)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane?
The InChIKey is ATQNZIQODIPXDB-APIJFGDWSA-N. The full InChI is InChI=1S/C15H29FO4/c1-10(2)18-9-13-15(20-11(3)4)14(17-7-6-16)12(5)8-19-13/h10-15H,6-9H2,1-5H3/t12-,13-,14+,15-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-4-(2-fluoroethoxy)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane?
(2R,3S,4S,5R)-4-(2-fluoroethoxy)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane has a molecular weight of 292.39 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-4-(2-fluoroethoxy)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane is sourced from PubChem (CID 58061995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).