4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane

C9H17FO3 — CID 77304266

IUPAC4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane
SMILESCOCC1OCC(C)C(F)C1OC
InChIInChI=1S/C9H17FO3/c1-6-4-13-7(5-11-2)9(12-3)8(6)10/h6-9H,4-5H2,1-3H3
InChIKeyRGXCIBLHMDAXPT-UHFFFAOYSA-N
MW192.23 g/mol
LogP1.02
Rot. Bonds3

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

4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane (PubChem CID 77304266) has the molecular formula C9H17FO3 and a molecular weight of 192.23 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane.

Molecular Properties

Compound Name4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane
PubChem CID77304266
Molecular FormulaC9H17FO3
Molecular Weight192.23 g/mol
Exact Mass192.12
IUPAC Name4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane
SMILESCOCC1OCC(C)C(F)C1OC
InChIInChI=1S/C9H17FO3/c1-6-4-13-7(5-11-2)9(12-3)8(6)10/h6-9H,4-5H2,1-3H3
InChIKeyRGXCIBLHMDAXPT-UHFFFAOYSA-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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Related Compounds

(3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane
CID 134895222
(2R,3S,4S,5R)-4-(2-fluoroethoxy)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane
CID 58061995
(4S,5R)-2-fluoro-6-(methoxymethyl)-3,4,5-trimethyloxane
CID 58241360
(3R,4S)-2-(ethoxymethyl)-6-fluoro-3,4,5-trimethyloxane
CID 58241375
(4S,5R)-2-fluoro-3,4,5-trimethyl-6-(propoxymethyl)oxane
CID 58241383
(2R,3R,4S,5R)-4-fluoro-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane
CID 60138928
(2R,4S,5R)-4-fluoro-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane
CID 60138954
(2R,3R,4S,5R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane
CID 67501840
1-(3-Ethoxybutan-2-yloxy)-4,4-difluoro-5-methylhexane
CID 88975412
(2R,3R,4S,5R)-4-fluoro-5-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(propan-2-yloxymethyl)oxane
CID 89707817
3-Ethoxy-4-fluoro-2-(methoxymethyl)-5-methyloxane
CID 90768889
4-Fluoro-2-(methoxymethyl)-5-methyloxane
CID 90976220

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane?
The IUPAC name of 4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane (CID 77304266) is 4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane.
What is the SMILES notation for 4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane?
The canonical SMILES for 4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane is COCC1OCC(C)C(F)C1OC.
What is the InChIKey of 4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane?
The InChIKey is RGXCIBLHMDAXPT-UHFFFAOYSA-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.
What are the key properties of 4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane?
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 4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane is sourced from PubChem (CID 77304266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).