(2R,3R,5R)-5-ethyl-3-fluoro-2-methoxy-3,4-dimethyloxolane

C9H17FO2 — CID 58142638

IUPAC(2R,3R,5R)-5-ethyl-3-fluoro-2-methoxy-3,4-dimethyloxolane
SMILESCC[C@H]1O[C@@H](OC)[C@](C)(F)C1C
InChIInChI=1S/C9H17FO2/c1-5-7-6(2)9(3,10)8(11-4)12-7/h6-8H,5H2,1-4H3/t6?,7-,8-,9-/m1/s1
InChIKeyRBIFTJMZFAGZMM-FUZJYRNYSA-N
MW176.23 g/mol
LogP2.13
Rot. Bonds2

About (2R,3R,5R)-5-ethyl-3-fluoro-2-methoxy-3,4-dimethyloxolane

(2R,3R,5R)-5-ethyl-3-fluoro-2-methoxy-3,4-dimethyloxolane (PubChem CID 58142638) has the molecular formula C9H17FO2 and a molecular weight of 176.23 g/mol. Its IUPAC name is (2R,3R,5R)-5-ethyl-3-fluoro-2-methoxy-3,4-dimethyloxolane.

Molecular Properties

Compound Name(2R,3R,5R)-5-ethyl-3-fluoro-2-methoxy-3,4-dimethyloxolane
PubChem CID58142638
Molecular FormulaC9H17FO2
Molecular Weight176.23 g/mol
Exact Mass176.12
IUPAC Name(2R,3R,5R)-5-ethyl-3-fluoro-2-methoxy-3,4-dimethyloxolane
SMILESCC[C@H]1O[C@@H](OC)[C@](C)(F)C1C
InChIInChI=1S/C9H17FO2/c1-5-7-6(2)9(3,10)8(11-4)12-7/h6-8H,5H2,1-4H3/t6?,7-,8-,9-/m1/s1
InChIKeyRBIFTJMZFAGZMM-FUZJYRNYSA-N
XLogP2.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-5-ethyl-3-fluoro-2-methoxy-3,4-dimethyloxolane?
The IUPAC name of (2R,3R,5R)-5-ethyl-3-fluoro-2-methoxy-3,4-dimethyloxolane (CID 58142638) is (2R,3R,5R)-5-ethyl-3-fluoro-2-methoxy-3,4-dimethyloxolane.
What is the SMILES notation for (2R,3R,5R)-5-ethyl-3-fluoro-2-methoxy-3,4-dimethyloxolane?
The canonical SMILES for (2R,3R,5R)-5-ethyl-3-fluoro-2-methoxy-3,4-dimethyloxolane is CC[C@H]1O[C@@H](OC)[C@](C)(F)C1C.
What is the InChIKey of (2R,3R,5R)-5-ethyl-3-fluoro-2-methoxy-3,4-dimethyloxolane?
The InChIKey is RBIFTJMZFAGZMM-FUZJYRNYSA-N. The full InChI is InChI=1S/C9H17FO2/c1-5-7-6(2)9(3,10)8(11-4)12-7/h6-8H,5H2,1-4H3/t6?,7-,8-,9-/m1/s1.
What are the key properties of (2R,3R,5R)-5-ethyl-3-fluoro-2-methoxy-3,4-dimethyloxolane?
(2R,3R,5R)-5-ethyl-3-fluoro-2-methoxy-3,4-dimethyloxolane has a molecular weight of 176.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-5-ethyl-3-fluoro-2-methoxy-3,4-dimethyloxolane is sourced from PubChem (CID 58142638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).