ethyl 3-(4,5-difluoro-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate

C10H16F2O5 — CID 142694574

IUPACethyl 3-(4,5-difluoro-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate
SMILESCCOC(=O)CC(O)C1(F)OC(C)(C)OC1F
InChIInChI=1S/C10H16F2O5/c1-4-15-7(14)5-6(13)10(12)8(11)16-9(2,3)17-10/h6,8,13H,4-5H2,1-3H3
InChIKeyOFLILQPBCBLOQY-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.04
Rot. Bonds4

About ethyl 3-(4,5-difluoro-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate

ethyl 3-(4,5-difluoro-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate (PubChem CID 142694574) has the molecular formula C10H16F2O5 and a molecular weight of 254.23 g/mol. Its IUPAC name is ethyl 3-(4,5-difluoro-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-(4,5-difluoro-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate
PubChem CID142694574
Molecular FormulaC10H16F2O5
Molecular Weight254.23 g/mol
Exact Mass254.10
IUPAC Nameethyl 3-(4,5-difluoro-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate
SMILESCCOC(=O)CC(O)C1(F)OC(C)(C)OC1F
InChIInChI=1S/C10H16F2O5/c1-4-15-7(14)5-6(13)10(12)8(11)16-9(2,3)17-10/h6,8,13H,4-5H2,1-3H3
InChIKeyOFLILQPBCBLOQY-UHFFFAOYSA-N
XLogP1.04
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[5-[(1R)-2-amino-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-oxobutanoate
CID 145311581
ethyl 1-(3-ethoxy-1-hydroxy-3-oxopropyl)cyclobutane-1-carboxylate
CID 102449614
ethyl (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 14691681
ethyl (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 14691682
ethyl 2-(2,2,6,6-tetramethyloxan-4-yl)acetate
CID 54474466
ethyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate
CID 147020402
ethyl (3R,4S)-3-chloro-4-hydroxypentanoate
CID 15936348
ethyl (3S)-3-(2-bromo-7-oxabicyclo[2.2.1]hept-5-en-2-yl)-3-hydroxypropanoate
CID 134965097
3-O-[[(4R,5R)-5-[(3-ethoxy-3-oxopropanoyl)oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 1-O-ethyl propanedioate
CID 100939783
ethyl 2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)acetate
CID 71344322
ethyl 3-amino-4,4,4-trifluorobutanoate
CID 2774311
ethyl 3-carbamoyloxybutanoate
CID 88785770

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4,5-difluoro-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate?
The IUPAC name of ethyl 3-(4,5-difluoro-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate (CID 142694574) is ethyl 3-(4,5-difluoro-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate.
What is the SMILES notation for ethyl 3-(4,5-difluoro-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate?
The canonical SMILES for ethyl 3-(4,5-difluoro-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate is CCOC(=O)CC(O)C1(F)OC(C)(C)OC1F.
What is the InChIKey of ethyl 3-(4,5-difluoro-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate?
The InChIKey is OFLILQPBCBLOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O5/c1-4-15-7(14)5-6(13)10(12)8(11)16-9(2,3)17-10/h6,8,13H,4-5H2,1-3H3.
What are the key properties of ethyl 3-(4,5-difluoro-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate?
ethyl 3-(4,5-difluoro-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate has a molecular weight of 254.23 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4,5-difluoro-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate is sourced from PubChem (CID 142694574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).