(2S,3R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane

C12H23FO3 — CID 59475268

IUPAC(2S,3R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
SMILESCC(C)OC[C@H]1O[C@@H](C)[C@@H](F)C1OC(C)C
InChIInChI=1S/C12H23FO3/c1-7(2)14-6-10-12(15-8(3)4)11(13)9(5)16-10/h7-12H,6H2,1-5H3/t9-,10+,11+,12?/m0/s1
InChIKeyMWRTWAFARTWEPU-YZTHKRDXSA-N
MW234.31 g/mol
LogP2.33
Rot. Bonds5

About (2S,3R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane

(2S,3R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane (PubChem CID 59475268) has the molecular formula C12H23FO3 and a molecular weight of 234.31 g/mol. Its IUPAC name is (2S,3R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane.

Molecular Properties

Compound Name(2S,3R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
PubChem CID59475268
Molecular FormulaC12H23FO3
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name(2S,3R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
SMILESCC(C)OC[C@H]1O[C@@H](C)[C@@H](F)C1OC(C)C
InChIInChI=1S/C12H23FO3/c1-7(2)14-6-10-12(15-8(3)4)11(13)9(5)16-10/h7-12H,6H2,1-5H3/t9-,10+,11+,12?/m0/s1
InChIKeyMWRTWAFARTWEPU-YZTHKRDXSA-N
XLogP2.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane?
The IUPAC name of (2S,3R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane (CID 59475268) is (2S,3R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane.
What is the SMILES notation for (2S,3R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane?
The canonical SMILES for (2S,3R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane is CC(C)OC[C@H]1O[C@@H](C)[C@@H](F)C1OC(C)C.
What is the InChIKey of (2S,3R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane?
The InChIKey is MWRTWAFARTWEPU-YZTHKRDXSA-N. The full InChI is InChI=1S/C12H23FO3/c1-7(2)14-6-10-12(15-8(3)4)11(13)9(5)16-10/h7-12H,6H2,1-5H3/t9-,10+,11+,12?/m0/s1.
What are the key properties of (2S,3R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane?
(2S,3R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane has a molecular weight of 234.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane is sourced from PubChem (CID 59475268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).