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

C10H19FO2 — CID 58241360

IUPAC(4S,5R)-2-fluoro-6-(methoxymethyl)-3,4,5-trimethyloxane
SMILESCOCC1OC(F)C(C)[C@@H](C)[C@H]1C
InChIInChI=1S/C10H19FO2/c1-6-7(2)9(5-12-4)13-10(11)8(6)3/h6-10H,5H2,1-4H3/t6-,7+,8?,9?,10?/m0/s1
InChIKeyHKFSDTWKCRIJEM-BLHFLBKCSA-N
MW190.26 g/mol
LogP2.24
Rot. Bonds2

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

(4S,5R)-2-fluoro-6-(methoxymethyl)-3,4,5-trimethyloxane (PubChem CID 58241360) has the molecular formula C10H19FO2 and a molecular weight of 190.26 g/mol. Its IUPAC name is (4S,5R)-2-fluoro-6-(methoxymethyl)-3,4,5-trimethyloxane.

Molecular Properties

Compound Name(4S,5R)-2-fluoro-6-(methoxymethyl)-3,4,5-trimethyloxane
PubChem CID58241360
Molecular FormulaC10H19FO2
Molecular Weight190.26 g/mol
Exact Mass190.14
IUPAC Name(4S,5R)-2-fluoro-6-(methoxymethyl)-3,4,5-trimethyloxane
SMILESCOCC1OC(F)C(C)[C@@H](C)[C@H]1C
InChIInChI=1S/C10H19FO2/c1-6-7(2)9(5-12-4)13-10(11)8(6)3/h6-10H,5H2,1-4H3/t6-,7+,8?,9?,10?/m0/s1
InChIKeyHKFSDTWKCRIJEM-BLHFLBKCSA-N
XLogP2.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-fluoro-6-(methoxymethyl)-3,4,5-trimethyloxane?
The IUPAC name of (4S,5R)-2-fluoro-6-(methoxymethyl)-3,4,5-trimethyloxane (CID 58241360) is (4S,5R)-2-fluoro-6-(methoxymethyl)-3,4,5-trimethyloxane.
What is the SMILES notation for (4S,5R)-2-fluoro-6-(methoxymethyl)-3,4,5-trimethyloxane?
The canonical SMILES for (4S,5R)-2-fluoro-6-(methoxymethyl)-3,4,5-trimethyloxane is COCC1OC(F)C(C)[C@@H](C)[C@H]1C.
What is the InChIKey of (4S,5R)-2-fluoro-6-(methoxymethyl)-3,4,5-trimethyloxane?
The InChIKey is HKFSDTWKCRIJEM-BLHFLBKCSA-N. The full InChI is InChI=1S/C10H19FO2/c1-6-7(2)9(5-12-4)13-10(11)8(6)3/h6-10H,5H2,1-4H3/t6-,7+,8?,9?,10?/m0/s1.
What are the key properties of (4S,5R)-2-fluoro-6-(methoxymethyl)-3,4,5-trimethyloxane?
(4S,5R)-2-fluoro-6-(methoxymethyl)-3,4,5-trimethyloxane has a molecular weight of 190.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-fluoro-6-(methoxymethyl)-3,4,5-trimethyloxane is sourced from PubChem (CID 58241360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).