(5S)-5-(3-fluoro-3-methylbutan-2-yl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane

C13H25FO4 — CID 149443426

IUPAC(5S)-5-(3-fluoro-3-methylbutan-2-yl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
SMILESCOC1(C)OC[C@H](C(C)C(C)(C)F)OC1(C)OC
InChIInChI=1S/C13H25FO4/c1-9(11(2,3)14)10-8-17-12(4,15-6)13(5,16-7)18-10/h9-10H,8H2,1-7H3/t9?,10-,12?,13?/m1/s1
InChIKeyYWFCOUCFFXYFFZ-OEJRDVNOSA-N
MW264.34 g/mol
LogP2.51
Rot. Bonds4

About (5S)-5-(3-fluoro-3-methylbutan-2-yl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane

(5S)-5-(3-fluoro-3-methylbutan-2-yl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane (PubChem CID 149443426) has the molecular formula C13H25FO4 and a molecular weight of 264.34 g/mol. Its IUPAC name is (5S)-5-(3-fluoro-3-methylbutan-2-yl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane.

Molecular Properties

Compound Name(5S)-5-(3-fluoro-3-methylbutan-2-yl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
PubChem CID149443426
Molecular FormulaC13H25FO4
Molecular Weight264.34 g/mol
Exact Mass264.17
IUPAC Name(5S)-5-(3-fluoro-3-methylbutan-2-yl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
SMILESCOC1(C)OC[C@H](C(C)C(C)(C)F)OC1(C)OC
InChIInChI=1S/C13H25FO4/c1-9(11(2,3)14)10-8-17-12(4,15-6)13(5,16-7)18-10/h9-10H,8H2,1-7H3/t9?,10-,12?,13?/m1/s1
InChIKeyYWFCOUCFFXYFFZ-OEJRDVNOSA-N
XLogP2.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-Diethoxy-5-fluoro-5-methyloxane
CID 177851392
(4S)-4-[(2R)-3-fluoro-3-methylbutan-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 89090354
4-(Fluoromethyl)-2,2-dimethyl-5-propan-2-yl-1,3-dioxane
CID 167263940
(2S,3S,5S,6S)-2-[(2R)-butan-2-yl]-5,6-dimethoxy-3-methyl-1,4-dioxane
CID 67989624
(2S,3S,6S)-2-[(2R)-butan-2-yl]-5,6-dimethoxy-3-methyl-1,4-dioxane
CID 67989639
(2S,3S,5R,6S)-2-[(2R)-butan-2-yl]-5,6-dimethoxy-3-methyl-1,4-dioxane
CID 67989644

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-fluoro-3-methylbutan-2-yl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane?
The IUPAC name of (5S)-5-(3-fluoro-3-methylbutan-2-yl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane (CID 149443426) is (5S)-5-(3-fluoro-3-methylbutan-2-yl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane.
What is the SMILES notation for (5S)-5-(3-fluoro-3-methylbutan-2-yl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane?
The canonical SMILES for (5S)-5-(3-fluoro-3-methylbutan-2-yl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane is COC1(C)OC[C@H](C(C)C(C)(C)F)OC1(C)OC.
What is the InChIKey of (5S)-5-(3-fluoro-3-methylbutan-2-yl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane?
The InChIKey is YWFCOUCFFXYFFZ-OEJRDVNOSA-N. The full InChI is InChI=1S/C13H25FO4/c1-9(11(2,3)14)10-8-17-12(4,15-6)13(5,16-7)18-10/h9-10H,8H2,1-7H3/t9?,10-,12?,13?/m1/s1.
What are the key properties of (5S)-5-(3-fluoro-3-methylbutan-2-yl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane?
(5S)-5-(3-fluoro-3-methylbutan-2-yl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane has a molecular weight of 264.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-fluoro-3-methylbutan-2-yl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane is sourced from PubChem (CID 149443426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).