ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropanoate

C11H19FO4 — CID 143289380

IUPACethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropanoate
SMILESCCOC(=O)C(C)(F)CC1COC(C)(C)O1
InChIInChI=1S/C11H19FO4/c1-5-14-9(13)11(4,12)6-8-7-15-10(2,3)16-8/h8H,5-7H2,1-4H3
InChIKeyQJGYGDYGNBDVFZ-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.82
Rot. Bonds4

About ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropanoate

ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropanoate (PubChem CID 143289380) has the molecular formula C11H19FO4 and a molecular weight of 234.27 g/mol. Its IUPAC name is ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropanoate
PubChem CID143289380
Molecular FormulaC11H19FO4
Molecular Weight234.27 g/mol
Exact Mass234.13
IUPAC Nameethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropanoate
SMILESCCOC(=O)C(C)(F)CC1COC(C)(C)O1
InChIInChI=1S/C11H19FO4/c1-5-14-9(13)11(4,12)6-8-7-15-10(2,3)16-8/h8H,5-7H2,1-4H3
InChIKeyQJGYGDYGNBDVFZ-UHFFFAOYSA-N
XLogP1.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-ethyl 3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoate
CID 42625044
Ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 11788909
ethyl (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 14691681
methyl (2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoate
CID 9815651
Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoropropanoate
CID 14411331
ethyl (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoate
CID 42625046
ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoropropanoate
CID 54040588
(2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoic acid
CID 54349651
(3R,4R)-3-fluoro-4-(methoxymethoxy)-5-(methoxymethoxymethyl)-3-methyloxolan-2-one
CID 57887619
Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoate
CID 57887637
Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methyl-3-oxopropanoate
CID 57887658
ethyl (3S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoate
CID 57887659

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropanoate?
The IUPAC name of ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropanoate (CID 143289380) is ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropanoate.
What is the SMILES notation for ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropanoate?
The canonical SMILES for ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropanoate is CCOC(=O)C(C)(F)CC1COC(C)(C)O1.
What is the InChIKey of ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropanoate?
The InChIKey is QJGYGDYGNBDVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO4/c1-5-14-9(13)11(4,12)6-8-7-15-10(2,3)16-8/h8H,5-7H2,1-4H3.
What are the key properties of ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropanoate?
ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropanoate has a molecular weight of 234.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropanoate is sourced from PubChem (CID 143289380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).