(2S,3S,4R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-[(1S)-1-propan-2-yloxyethyl]oxolane

C13H25FO3 — CID 58498310

IUPAC(2S,3S,4R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-[(1S)-1-propan-2-yloxyethyl]oxolane
SMILESCC(C)O[C@H]1[C@@H](F)[C@H](C)O[C@@H]1[C@H](C)OC(C)C
InChIInChI=1S/C13H25FO3/c1-7(2)15-10(6)12-13(16-8(3)4)11(14)9(5)17-12/h7-13H,1-6H3/t9-,10-,11-,12+,13-/m0/s1
InChIKeyCLPAZAFHHYPENB-NWBUJAPZSA-N
MW248.34 g/mol
LogP2.72
Rot. Bonds5

About (2S,3S,4R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-[(1S)-1-propan-2-yloxyethyl]oxolane

(2S,3S,4R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-[(1S)-1-propan-2-yloxyethyl]oxolane (PubChem CID 58498310) has the molecular formula C13H25FO3 and a molecular weight of 248.34 g/mol. Its IUPAC name is (2S,3S,4R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-[(1S)-1-propan-2-yloxyethyl]oxolane.

Molecular Properties

Compound Name(2S,3S,4R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-[(1S)-1-propan-2-yloxyethyl]oxolane
PubChem CID58498310
Molecular FormulaC13H25FO3
Molecular Weight248.34 g/mol
Exact Mass248.18
IUPAC Name(2S,3S,4R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-[(1S)-1-propan-2-yloxyethyl]oxolane
SMILESCC(C)O[C@H]1[C@@H](F)[C@H](C)O[C@@H]1[C@H](C)OC(C)C
InChIInChI=1S/C13H25FO3/c1-7(2)15-10(6)12-13(16-8(3)4)11(14)9(5)17-12/h7-13H,1-6H3/t9-,10-,11-,12+,13-/m0/s1
InChIKeyCLPAZAFHHYPENB-NWBUJAPZSA-N
XLogP2.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-[(1S)-1-propan-2-yloxyethyl]oxolane?
The IUPAC name of (2S,3S,4R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-[(1S)-1-propan-2-yloxyethyl]oxolane (CID 58498310) is (2S,3S,4R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-[(1S)-1-propan-2-yloxyethyl]oxolane.
What is the SMILES notation for (2S,3S,4R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-[(1S)-1-propan-2-yloxyethyl]oxolane?
The canonical SMILES for (2S,3S,4R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-[(1S)-1-propan-2-yloxyethyl]oxolane is CC(C)O[C@H]1[C@@H](F)[C@H](C)O[C@@H]1[C@H](C)OC(C)C.
What is the InChIKey of (2S,3S,4R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-[(1S)-1-propan-2-yloxyethyl]oxolane?
The InChIKey is CLPAZAFHHYPENB-NWBUJAPZSA-N. The full InChI is InChI=1S/C13H25FO3/c1-7(2)15-10(6)12-13(16-8(3)4)11(14)9(5)17-12/h7-13H,1-6H3/t9-,10-,11-,12+,13-/m0/s1.
What are the key properties of (2S,3S,4R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-[(1S)-1-propan-2-yloxyethyl]oxolane?
(2S,3S,4R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-[(1S)-1-propan-2-yloxyethyl]oxolane has a molecular weight of 248.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-[(1S)-1-propan-2-yloxyethyl]oxolane is sourced from PubChem (CID 58498310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).