ethyl 2,2-difluoro-3-(4-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl)propanoate

C10H16F2O5 — CID 141282458

IUPACethyl 2,2-difluoro-3-(4-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl)propanoate
SMILESCCOC(=O)C(F)(F)CC1(O)COC(C)(C)O1
InChIInChI=1S/C10H16F2O5/c1-4-15-7(13)10(11,12)5-9(14)6-16-8(2,3)17-9/h14H,4-6H2,1-3H3
InChIKeyHTMKHKOXJQVKSR-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.05
Rot. Bonds4

About ethyl 2,2-difluoro-3-(4-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl)propanoate

ethyl 2,2-difluoro-3-(4-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl)propanoate (PubChem CID 141282458) has the molecular formula C10H16F2O5 and a molecular weight of 254.23 g/mol. Its IUPAC name is ethyl 2,2-difluoro-3-(4-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-3-(4-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl)propanoate
PubChem CID141282458
Molecular FormulaC10H16F2O5
Molecular Weight254.23 g/mol
Exact Mass254.10
IUPAC Nameethyl 2,2-difluoro-3-(4-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl)propanoate
SMILESCCOC(=O)C(F)(F)CC1(O)COC(C)(C)O1
InChIInChI=1S/C10H16F2O5/c1-4-15-7(13)10(11,12)5-9(14)6-16-8(2,3)17-9/h14H,4-6H2,1-3H3
InChIKeyHTMKHKOXJQVKSR-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2-Dimethyl-1,3-dioxolan-4-yl)propanoic acid
CID 11171261
Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoate
CID 13477297
(R)-Ethyl 3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoate
CID 11658900
Ethyl 3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoate
CID 13477300
(R)-Ethyl 3-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoate
CID 10824796
2-Deoxy-2,2-difluoro-4,5-O-isopropylidene-D-threo-pentonic Acid Ethyl Ester
CID 13477296
ethyl (3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoate
CID 13477298
Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoropropanoate
CID 14411331
3-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoic acid
CID 17994339
3-(2,2-Diethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoic acid
CID 19598267
(3S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoic acid
CID 24877861
(3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoic acid
CID 24877863

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-3-(4-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl)propanoate?
The IUPAC name of ethyl 2,2-difluoro-3-(4-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl)propanoate (CID 141282458) is ethyl 2,2-difluoro-3-(4-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl)propanoate.
What is the SMILES notation for ethyl 2,2-difluoro-3-(4-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl)propanoate?
The canonical SMILES for ethyl 2,2-difluoro-3-(4-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl)propanoate is CCOC(=O)C(F)(F)CC1(O)COC(C)(C)O1.
What is the InChIKey of ethyl 2,2-difluoro-3-(4-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl)propanoate?
The InChIKey is HTMKHKOXJQVKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O5/c1-4-15-7(13)10(11,12)5-9(14)6-16-8(2,3)17-9/h14H,4-6H2,1-3H3.
What are the key properties of ethyl 2,2-difluoro-3-(4-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl)propanoate?
ethyl 2,2-difluoro-3-(4-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl)propanoate has a molecular weight of 254.23 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-3-(4-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl)propanoate is sourced from PubChem (CID 141282458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).