methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylbutanoate

C11H19FO4 — CID 89448787

IUPACmethyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylbutanoate
SMILESCOC(=O)[C@](C)(F)[C@H](C)C1COC(C)(C)O1
InChIInChI=1S/C11H19FO4/c1-7(11(4,12)9(13)14-5)8-6-15-10(2,3)16-8/h7-8H,6H2,1-5H3/t7-,8?,11-/m1/s1
InChIKeyYVWIQUYQXHIUSN-RBTFRQDQSA-N
MW234.27 g/mol
LogP1.68
Rot. Bonds3

About methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylbutanoate

methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylbutanoate (PubChem CID 89448787) has the molecular formula C11H19FO4 and a molecular weight of 234.27 g/mol. Its IUPAC name is methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylbutanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylbutanoate
PubChem CID89448787
Molecular FormulaC11H19FO4
Molecular Weight234.27 g/mol
Exact Mass234.13
IUPAC Namemethyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylbutanoate
SMILESCOC(=O)[C@](C)(F)[C@H](C)C1COC(C)(C)O1
InChIInChI=1S/C11H19FO4/c1-7(11(4,12)9(13)14-5)8-6-15-10(2,3)16-8/h7-8H,6H2,1-5H3/t7-,8?,11-/m1/s1
InChIKeyYVWIQUYQXHIUSN-RBTFRQDQSA-N
XLogP1.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylbutanoate?
The IUPAC name of methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylbutanoate (CID 89448787) is methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylbutanoate.
What is the SMILES notation for methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylbutanoate?
The canonical SMILES for methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylbutanoate is COC(=O)[C@](C)(F)[C@H](C)C1COC(C)(C)O1.
What is the InChIKey of methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylbutanoate?
The InChIKey is YVWIQUYQXHIUSN-RBTFRQDQSA-N. The full InChI is InChI=1S/C11H19FO4/c1-7(11(4,12)9(13)14-5)8-6-15-10(2,3)16-8/h7-8H,6H2,1-5H3/t7-,8?,11-/m1/s1.
What are the key properties of methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylbutanoate?
methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylbutanoate has a molecular weight of 234.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylbutanoate is sourced from PubChem (CID 89448787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).