(2S,5S)-3-fluoro-2,4-dimethoxy-5-(methoxymethyl)oxolane

C8H15FO4 — CID 59034016

IUPAC(2S,5S)-3-fluoro-2,4-dimethoxy-5-(methoxymethyl)oxolane
SMILESCOC[C@@H]1O[C@H](OC)C(F)C1OC
InChIInChI=1S/C8H15FO4/c1-10-4-5-7(11-2)6(9)8(12-3)13-5/h5-8H,4H2,1-3H3/t5-,6?,7?,8-/m0/s1
InChIKeySBLQBLRQCNJTBC-UMULYZNJSA-N
MW194.20 g/mol
LogP0.36
Rot. Bonds4

About (2S,5S)-3-fluoro-2,4-dimethoxy-5-(methoxymethyl)oxolane

(2S,5S)-3-fluoro-2,4-dimethoxy-5-(methoxymethyl)oxolane (PubChem CID 59034016) has the molecular formula C8H15FO4 and a molecular weight of 194.20 g/mol. Its IUPAC name is (2S,5S)-3-fluoro-2,4-dimethoxy-5-(methoxymethyl)oxolane.

Molecular Properties

Compound Name(2S,5S)-3-fluoro-2,4-dimethoxy-5-(methoxymethyl)oxolane
PubChem CID59034016
Molecular FormulaC8H15FO4
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name(2S,5S)-3-fluoro-2,4-dimethoxy-5-(methoxymethyl)oxolane
SMILESCOC[C@@H]1O[C@H](OC)C(F)C1OC
InChIInChI=1S/C8H15FO4/c1-10-4-5-7(11-2)6(9)8(12-3)13-5/h5-8H,4H2,1-3H3/t5-,6?,7?,8-/m0/s1
InChIKeySBLQBLRQCNJTBC-UMULYZNJSA-N
XLogP0.36
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-3-fluoro-2,4-dimethoxy-5-(methoxymethyl)oxolane?
The IUPAC name of (2S,5S)-3-fluoro-2,4-dimethoxy-5-(methoxymethyl)oxolane (CID 59034016) is (2S,5S)-3-fluoro-2,4-dimethoxy-5-(methoxymethyl)oxolane.
What is the SMILES notation for (2S,5S)-3-fluoro-2,4-dimethoxy-5-(methoxymethyl)oxolane?
The canonical SMILES for (2S,5S)-3-fluoro-2,4-dimethoxy-5-(methoxymethyl)oxolane is COC[C@@H]1O[C@H](OC)C(F)C1OC.
What is the InChIKey of (2S,5S)-3-fluoro-2,4-dimethoxy-5-(methoxymethyl)oxolane?
The InChIKey is SBLQBLRQCNJTBC-UMULYZNJSA-N. The full InChI is InChI=1S/C8H15FO4/c1-10-4-5-7(11-2)6(9)8(12-3)13-5/h5-8H,4H2,1-3H3/t5-,6?,7?,8-/m0/s1.
What are the key properties of (2S,5S)-3-fluoro-2,4-dimethoxy-5-(methoxymethyl)oxolane?
(2S,5S)-3-fluoro-2,4-dimethoxy-5-(methoxymethyl)oxolane has a molecular weight of 194.20 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-3-fluoro-2,4-dimethoxy-5-(methoxymethyl)oxolane is sourced from PubChem (CID 59034016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).