ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoate

C10H17FO4 — CID 144690999

IUPACethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoate
SMILESCCOC(=O)[C@H](F)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H17FO4/c1-4-13-9(12)8(11)5-7-6-14-10(2,3)15-7/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyUKQVCDGDKOLQDK-JGVFFNPUSA-N
MW220.24 g/mol
LogP1.43
Rot. Bonds4

About ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoate

ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoate (PubChem CID 144690999) has the molecular formula C10H17FO4 and a molecular weight of 220.24 g/mol. Its IUPAC name is ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoate.

Molecular Properties

Compound Nameethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoate
PubChem CID144690999
Molecular FormulaC10H17FO4
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Nameethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoate
SMILESCCOC(=O)[C@H](F)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H17FO4/c1-4-13-9(12)8(11)5-7-6-14-10(2,3)15-7/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyUKQVCDGDKOLQDK-JGVFFNPUSA-N
XLogP1.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl levulinate propyleneglycol ketal
CID 221634
Ethyl 2-methyl-1,3-dioxolane-2-propionate
CID 70332
3-(2,2-Dimethyl-1,3-dioxolan-4-yl)propanoic acid
CID 11171261
1,3-Dioxolane-2-propanoic acid, 2-methyl-, methyl ester
CID 560031
Ethyl 3-(4-(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl)propanoate
CID 245458
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
ethyl 3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]propanoate
CID 51003259
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 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

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoate?
The IUPAC name of ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoate (CID 144690999) is ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoate.
What is the SMILES notation for ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoate?
The canonical SMILES for ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoate is CCOC(=O)[C@H](F)C[C@H]1COC(C)(C)O1.
What is the InChIKey of ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoate?
The InChIKey is UKQVCDGDKOLQDK-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H17FO4/c1-4-13-9(12)8(11)5-7-6-14-10(2,3)15-7/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoate?
ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoate has a molecular weight of 220.24 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoate is sourced from PubChem (CID 144690999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).