(3R,4S)-2-(ethoxymethyl)-6-fluoro-3,4,5-trimethyloxane

C11H21FO2 — CID 58241375

IUPAC(3R,4S)-2-(ethoxymethyl)-6-fluoro-3,4,5-trimethyloxane
SMILESCCOCC1OC(F)C(C)[C@@H](C)[C@H]1C
InChIInChI=1S/C11H21FO2/c1-5-13-6-10-8(3)7(2)9(4)11(12)14-10/h7-11H,5-6H2,1-4H3/t7-,8+,9?,10?,11?/m0/s1
InChIKeyFVVQMEPYNTYUCS-UMWDYIOSSA-N
MW204.28 g/mol
LogP2.63
Rot. Bonds3

About (3R,4S)-2-(ethoxymethyl)-6-fluoro-3,4,5-trimethyloxane

(3R,4S)-2-(ethoxymethyl)-6-fluoro-3,4,5-trimethyloxane (PubChem CID 58241375) has the molecular formula C11H21FO2 and a molecular weight of 204.28 g/mol. Its IUPAC name is (3R,4S)-2-(ethoxymethyl)-6-fluoro-3,4,5-trimethyloxane.

Molecular Properties

Compound Name(3R,4S)-2-(ethoxymethyl)-6-fluoro-3,4,5-trimethyloxane
PubChem CID58241375
Molecular FormulaC11H21FO2
Molecular Weight204.28 g/mol
Exact Mass204.15
IUPAC Name(3R,4S)-2-(ethoxymethyl)-6-fluoro-3,4,5-trimethyloxane
SMILESCCOCC1OC(F)C(C)[C@@H](C)[C@H]1C
InChIInChI=1S/C11H21FO2/c1-5-13-6-10-8(3)7(2)9(4)11(12)14-10/h7-11H,5-6H2,1-4H3/t7-,8+,9?,10?,11?/m0/s1
InChIKeyFVVQMEPYNTYUCS-UMWDYIOSSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-2-(ethoxymethyl)-6-fluoro-3,4,5-trimethyloxane?
The IUPAC name of (3R,4S)-2-(ethoxymethyl)-6-fluoro-3,4,5-trimethyloxane (CID 58241375) is (3R,4S)-2-(ethoxymethyl)-6-fluoro-3,4,5-trimethyloxane.
What is the SMILES notation for (3R,4S)-2-(ethoxymethyl)-6-fluoro-3,4,5-trimethyloxane?
The canonical SMILES for (3R,4S)-2-(ethoxymethyl)-6-fluoro-3,4,5-trimethyloxane is CCOCC1OC(F)C(C)[C@@H](C)[C@H]1C.
What is the InChIKey of (3R,4S)-2-(ethoxymethyl)-6-fluoro-3,4,5-trimethyloxane?
The InChIKey is FVVQMEPYNTYUCS-UMWDYIOSSA-N. The full InChI is InChI=1S/C11H21FO2/c1-5-13-6-10-8(3)7(2)9(4)11(12)14-10/h7-11H,5-6H2,1-4H3/t7-,8+,9?,10?,11?/m0/s1.
What are the key properties of (3R,4S)-2-(ethoxymethyl)-6-fluoro-3,4,5-trimethyloxane?
(3R,4S)-2-(ethoxymethyl)-6-fluoro-3,4,5-trimethyloxane has a molecular weight of 204.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-2-(ethoxymethyl)-6-fluoro-3,4,5-trimethyloxane is sourced from PubChem (CID 58241375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).