ethyl 2-fluoro-2-(2-methyl-1,3-dioxolan-2-yl)acetate

C8H13FO4 — CID 14732462

IUPACethyl 2-fluoro-2-(2-methyl-1,3-dioxolan-2-yl)acetate
SMILESCCOC(=O)C(F)C1(C)OCCO1
InChIInChI=1S/C8H13FO4/c1-3-11-7(10)6(9)8(2)12-4-5-13-8/h6H,3-5H2,1-2H3
InChIKeyDSENPZUFEGROCH-UHFFFAOYSA-N
MW192.19 g/mol
LogP0.65
Rot. Bonds3

About ethyl 2-fluoro-2-(2-methyl-1,3-dioxolan-2-yl)acetate

ethyl 2-fluoro-2-(2-methyl-1,3-dioxolan-2-yl)acetate (PubChem CID 14732462) has the molecular formula C8H13FO4 and a molecular weight of 192.19 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(2-methyl-1,3-dioxolan-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(2-methyl-1,3-dioxolan-2-yl)acetate
PubChem CID14732462
Molecular FormulaC8H13FO4
Molecular Weight192.19 g/mol
Exact Mass192.08
IUPAC Nameethyl 2-fluoro-2-(2-methyl-1,3-dioxolan-2-yl)acetate
SMILESCCOC(=O)C(F)C1(C)OCCO1
InChIInChI=1S/C8H13FO4/c1-3-11-7(10)6(9)8(2)12-4-5-13-8/h6H,3-5H2,1-2H3
InChIKeyDSENPZUFEGROCH-UHFFFAOYSA-N
XLogP0.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate
CID 95392
Ethyl acetoacetate ethyleneglycol ketal
CID 80865
Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate
CID 361323
2-(2-Methyl-1,3-dioxolan-2-yl)acetic acid
CID 560044
Methyl (4S,5R)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
CID 6544468
Methyl (2-methyl-1,3-dioxolan-2-yl)acetate
CID 11816007
1,3-Dioxolane-2-ethanol, 2-methyl-, 2-acetate
CID 106458
Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
CID 853434
Ethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetate
CID 1542451
Methyl (4S)-(+)-2,2-dimethyl-1,3-dioxolane-4-acetate
CID 2733885
(R)-Methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate
CID 11073901
Methyl 2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
CID 4523932

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(2-methyl-1,3-dioxolan-2-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(2-methyl-1,3-dioxolan-2-yl)acetate (CID 14732462) is ethyl 2-fluoro-2-(2-methyl-1,3-dioxolan-2-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(2-methyl-1,3-dioxolan-2-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(2-methyl-1,3-dioxolan-2-yl)acetate is CCOC(=O)C(F)C1(C)OCCO1.
What is the InChIKey of ethyl 2-fluoro-2-(2-methyl-1,3-dioxolan-2-yl)acetate?
The InChIKey is DSENPZUFEGROCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO4/c1-3-11-7(10)6(9)8(2)12-4-5-13-8/h6H,3-5H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(2-methyl-1,3-dioxolan-2-yl)acetate?
ethyl 2-fluoro-2-(2-methyl-1,3-dioxolan-2-yl)acetate has a molecular weight of 192.19 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(2-methyl-1,3-dioxolan-2-yl)acetate is sourced from PubChem (CID 14732462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).