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

C12H23FO3 — CID 58351928

IUPAC(2R,3R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane
SMILESCC(C)O[C@H]1OC[C@@H](C)[C@H](F)[C@@H]1OC(C)C
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-NOOOWODRSA-N
MW234.31 g/mol
LogP2.54
Rot. Bonds4

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

(2R,3R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane (PubChem CID 58351928) has the molecular formula C12H23FO3 and a molecular weight of 234.31 g/mol. Its IUPAC name is (2R,3R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane.

Molecular Properties

Compound Name(2R,3R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane
PubChem CID58351928
Molecular FormulaC12H23FO3
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name(2R,3R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane
SMILESCC(C)O[C@H]1OC[C@@H](C)[C@H](F)[C@@H]1OC(C)C
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-NOOOWODRSA-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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Related Compounds

3,3-Diethoxy-5-fluoro-5-methyloxane
CID 177851392
2,5-Dibutoxyoxane
CID 4378998
(2S,3R,4S,5S)-4-fluoro-2-methoxy-3,5-dimethyloxane
CID 58060708
(2R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane
CID 66696298
(2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane
CID 89488799
2-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]oxyoxane
CID 118119159
2-[2-(Fluoromethyl)-4-methylpentoxy]oxane
CID 138656745
(2R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane
CID 158436182
(2S,3R)-2-ethoxy-3-methoxytetrahydro-2H-pyran
CID 162786669
(2R,3R)-2-ethoxy-3-methoxytetrahydro-2H-pyran
CID 162786755
2-[(3S)-3-ethyl-5,5,5-trifluoro-4-methylpentan-2-yl]oxyoxane
CID 162596889
(2S,5S)-2,5-dibutoxyoxane
CID 2311826

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane?
The IUPAC name of (2R,3R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane (CID 58351928) is (2R,3R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane.
What is the SMILES notation for (2R,3R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane?
The canonical SMILES for (2R,3R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane is CC(C)O[C@H]1OC[C@@H](C)[C@H](F)[C@@H]1OC(C)C.
What is the InChIKey of (2R,3R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane?
The InChIKey is HCGDWFRNCRAKCG-NOOOWODRSA-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,3R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane?
(2R,3R,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,3R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane is sourced from PubChem (CID 58351928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).