(5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-one

C7H11FO4 — CID 69027203

IUPAC(5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-one
SMILESCOC[C@H]1OC(=O)C(F)C1OC
InChIInChI=1S/C7H11FO4/c1-10-3-4-6(11-2)5(8)7(9)12-4/h4-6H,3H2,1-2H3/t4-,5?,6?/m1/s1
InChIKeyMSEKUBMDCXLFCM-IISSFJTQSA-N
MW178.16 g/mol
LogP-0.09
Rot. Bonds3

About (5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-one

(5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-one (PubChem CID 69027203) has the molecular formula C7H11FO4 and a molecular weight of 178.16 g/mol. Its IUPAC name is (5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-one
PubChem CID69027203
Molecular FormulaC7H11FO4
Molecular Weight178.16 g/mol
Exact Mass178.06
IUPAC Name(5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-one
SMILESCOC[C@H]1OC(=O)C(F)C1OC
InChIInChI=1S/C7H11FO4/c1-10-3-4-6(11-2)5(8)7(9)12-4/h4-6H,3H2,1-2H3/t4-,5?,6?/m1/s1
InChIKeyMSEKUBMDCXLFCM-IISSFJTQSA-N
XLogP-0.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-one?
The IUPAC name of (5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-one (CID 69027203) is (5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-one.
What is the SMILES notation for (5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-one?
The canonical SMILES for (5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-one is COC[C@H]1OC(=O)C(F)C1OC.
What is the InChIKey of (5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-one?
The InChIKey is MSEKUBMDCXLFCM-IISSFJTQSA-N. The full InChI is InChI=1S/C7H11FO4/c1-10-3-4-6(11-2)5(8)7(9)12-4/h4-6H,3H2,1-2H3/t4-,5?,6?/m1/s1.
What are the key properties of (5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-one?
(5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-one has a molecular weight of 178.16 g/mol, XLogP of -0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-one is sourced from PubChem (CID 69027203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).