(2R,4S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane

C8H15FO3 — CID 130187742

IUPAC(2R,4S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane
SMILESCOC[C@H]1O[C@@H](C)[C@H](F)C1OC
InChIInChI=1S/C8H15FO3/c1-5-7(9)8(11-3)6(12-5)4-10-2/h5-8H,4H2,1-3H3/t5-,6+,7-,8?/m0/s1
InChIKeyKPINOLRMYARTNG-SZVWITLZSA-N
MW178.20 g/mol
LogP0.77
Rot. Bonds3

About (2R,4S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane

(2R,4S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane (PubChem CID 130187742) has the molecular formula C8H15FO3 and a molecular weight of 178.20 g/mol. Its IUPAC name is (2R,4S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane.

Molecular Properties

Compound Name(2R,4S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane
PubChem CID130187742
Molecular FormulaC8H15FO3
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name(2R,4S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane
SMILESCOC[C@H]1O[C@@H](C)[C@H](F)C1OC
InChIInChI=1S/C8H15FO3/c1-5-7(9)8(11-3)6(12-5)4-10-2/h5-8H,4H2,1-3H3/t5-,6+,7-,8?/m0/s1
InChIKeyKPINOLRMYARTNG-SZVWITLZSA-N
XLogP0.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Anhydro-1,3,4,6-tetra-O-methyl-D-glucitol
CID 288212
(2R,3R,4R,5S)-3,4-dimethoxy-2,5-bis(methoxymethyl)oxolane
CID 21140309
(2S,3S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
CID 58062016
(2R,4R,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane
CID 58209642
(2S,3S,4R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-[(1S)-1-propan-2-yloxyethyl]oxolane
CID 58498310
(2S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
CID 58566890
(2S,3R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
CID 59475268
(2S,3S,4R,5R)-4-fluoro-2-(methoxymethyl)-5-methyloxolan-3-ol
CID 59796102
4-Fluoro-2-(methoxymethyl)-3,5-dimethyloxolane
CID 59875108
(2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane
CID 60040892
(2R,3S,5S)-3-fluoro-4-methoxy-2-(methoxymethyl)-5-methyloxolane
CID 60040893
(2R,4R,5S)-3-fluoro-4-methoxy-2-(methoxymethyl)-5-methyloxolane
CID 66793434

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane?
The IUPAC name of (2R,4S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane (CID 130187742) is (2R,4S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane.
What is the SMILES notation for (2R,4S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane?
The canonical SMILES for (2R,4S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane is COC[C@H]1O[C@@H](C)[C@H](F)C1OC.
What is the InChIKey of (2R,4S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane?
The InChIKey is KPINOLRMYARTNG-SZVWITLZSA-N. The full InChI is InChI=1S/C8H15FO3/c1-5-7(9)8(11-3)6(12-5)4-10-2/h5-8H,4H2,1-3H3/t5-,6+,7-,8?/m0/s1.
What are the key properties of (2R,4S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane?
(2R,4S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane has a molecular weight of 178.20 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane is sourced from PubChem (CID 130187742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).