(2R,3R,4S,5R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane

C9H17FO3 — CID 67501840

IUPAC(2R,3R,4S,5R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane
SMILESCOC[C@H]1OC[C@@H](C)[C@H](F)[C@@H]1OC
InChIInChI=1S/C9H17FO3/c1-6-4-13-7(5-11-2)9(12-3)8(6)10/h6-9H,4-5H2,1-3H3/t6-,7-,8+,9-/m1/s1
InChIKeyRGXCIBLHMDAXPT-LURQLKTLSA-N
MW192.23 g/mol
LogP1.02
Rot. Bonds3

About (2R,3R,4S,5R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane

(2R,3R,4S,5R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane (PubChem CID 67501840) has the molecular formula C9H17FO3 and a molecular weight of 192.23 g/mol. Its IUPAC name is (2R,3R,4S,5R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane.

Molecular Properties

Compound Name(2R,3R,4S,5R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane
PubChem CID67501840
Molecular FormulaC9H17FO3
Molecular Weight192.23 g/mol
Exact Mass192.12
IUPAC Name(2R,3R,4S,5R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane
SMILESCOC[C@H]1OC[C@@H](C)[C@H](F)[C@@H]1OC
InChIInChI=1S/C9H17FO3/c1-6-4-13-7(5-11-2)9(12-3)8(6)10/h6-9H,4-5H2,1-3H3/t6-,7-,8+,9-/m1/s1
InChIKeyRGXCIBLHMDAXPT-LURQLKTLSA-N
XLogP1.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane?
The IUPAC name of (2R,3R,4S,5R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane (CID 67501840) is (2R,3R,4S,5R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane.
What is the SMILES notation for (2R,3R,4S,5R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane?
The canonical SMILES for (2R,3R,4S,5R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane is COC[C@H]1OC[C@@H](C)[C@H](F)[C@@H]1OC.
What is the InChIKey of (2R,3R,4S,5R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane?
The InChIKey is RGXCIBLHMDAXPT-LURQLKTLSA-N. The full InChI is InChI=1S/C9H17FO3/c1-6-4-13-7(5-11-2)9(12-3)8(6)10/h6-9H,4-5H2,1-3H3/t6-,7-,8+,9-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane?
(2R,3R,4S,5R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane has a molecular weight of 192.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane is sourced from PubChem (CID 67501840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).