(2R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane

C12H23FO3 — CID 158436182

IUPAC(2R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane
SMILESCC(C)OC1[C@@H](OC(C)C)OC[C@@H](C)[C@@H]1F
InChIInChI=1S/C12H23FO3/c1-7(2)15-11-10(13)9(5)6-14-12(11)16-8(3)4/h7-12H,6H2,1-5H3/t9-,10+,11?,12-/m1/s1
InChIKeyHCGDWFRNCRAKCG-AYLPWXGPSA-N
MW234.31 g/mol
LogP2.54
Rot. Bonds4

About (2R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane

(2R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane (PubChem CID 158436182) has the molecular formula C12H23FO3 and a molecular weight of 234.31 g/mol. Its IUPAC name is (2R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane.

Molecular Properties

Compound Name(2R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane
PubChem CID158436182
Molecular FormulaC12H23FO3
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name(2R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane
SMILESCC(C)OC1[C@@H](OC(C)C)OC[C@@H](C)[C@@H]1F
InChIInChI=1S/C12H23FO3/c1-7(2)15-11-10(13)9(5)6-14-12(11)16-8(3)4/h7-12H,6H2,1-5H3/t9-,10+,11?,12-/m1/s1
InChIKeyHCGDWFRNCRAKCG-AYLPWXGPSA-N
XLogP2.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane?
The IUPAC name of (2R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane (CID 158436182) is (2R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane.
What is the SMILES notation for (2R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane?
The canonical SMILES for (2R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane is CC(C)OC1[C@@H](OC(C)C)OC[C@@H](C)[C@@H]1F.
What is the InChIKey of (2R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane?
The InChIKey is HCGDWFRNCRAKCG-AYLPWXGPSA-N. The full InChI is InChI=1S/C12H23FO3/c1-7(2)15-11-10(13)9(5)6-14-12(11)16-8(3)4/h7-12H,6H2,1-5H3/t9-,10+,11?,12-/m1/s1.
What are the key properties of (2R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane?
(2R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane has a molecular weight of 234.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane is sourced from PubChem (CID 158436182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).