methyl 2-(2-ethyl-1,3-dioxolan-2-yl)-2-fluoroacetate

C8H13FO4 — CID 86637054

IUPACmethyl 2-(2-ethyl-1,3-dioxolan-2-yl)-2-fluoroacetate
SMILESCCC1(C(F)C(=O)OC)OCCO1
InChIInChI=1S/C8H13FO4/c1-3-8(12-4-5-13-8)6(9)7(10)11-2/h6H,3-5H2,1-2H3
InChIKeyPXVREMFRAXYHPL-UHFFFAOYSA-N
MW192.19 g/mol
LogP0.65
Rot. Bonds3

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

methyl 2-(2-ethyl-1,3-dioxolan-2-yl)-2-fluoroacetate (PubChem CID 86637054) has the molecular formula C8H13FO4 and a molecular weight of 192.19 g/mol. Its IUPAC name is methyl 2-(2-ethyl-1,3-dioxolan-2-yl)-2-fluoroacetate.

Molecular Properties

Compound Namemethyl 2-(2-ethyl-1,3-dioxolan-2-yl)-2-fluoroacetate
PubChem CID86637054
Molecular FormulaC8H13FO4
Molecular Weight192.19 g/mol
Exact Mass192.08
IUPAC Namemethyl 2-(2-ethyl-1,3-dioxolan-2-yl)-2-fluoroacetate
SMILESCCC1(C(F)C(=O)OC)OCCO1
InChIInChI=1S/C8H13FO4/c1-3-8(12-4-5-13-8)6(9)7(10)11-2/h6H,3-5H2,1-2H3
InChIKeyPXVREMFRAXYHPL-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 acetoacetate ethyleneglycol ketal
CID 80865
Methyl (2-methyl-1,3-dioxolan-2-yl)acetate
CID 11816007
Dimethyl 2,2'-(1,3-dioxolane-2,2-diyl)diacetate
CID 228900
Ethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetate
CID 1542451
1,3-Dioxolane-2,2-diacetic acid, diethyl ester
CID 274348
Ethyl 2-fluoro-2-(2-methyl-1,3-dioxolan-2-yl)acetate
CID 14732462
Ethyl 2-[4-methyl-2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetate
CID 132579783
Methyl [2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetate
CID 13493537
Ethyl (2-propyl-1,3-dioxolan-2-yl)acetate
CID 14505110
Methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]-2,2-difluoroacetate
CID 14401461
(2-Methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate
CID 59602386
(3R)-4-butoxy-3-fluoro-5-methyloxolan-2-one
CID 68038493

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethyl-1,3-dioxolan-2-yl)-2-fluoroacetate?
The IUPAC name of methyl 2-(2-ethyl-1,3-dioxolan-2-yl)-2-fluoroacetate (CID 86637054) is methyl 2-(2-ethyl-1,3-dioxolan-2-yl)-2-fluoroacetate.
What is the SMILES notation for methyl 2-(2-ethyl-1,3-dioxolan-2-yl)-2-fluoroacetate?
The canonical SMILES for methyl 2-(2-ethyl-1,3-dioxolan-2-yl)-2-fluoroacetate is CCC1(C(F)C(=O)OC)OCCO1.
What is the InChIKey of methyl 2-(2-ethyl-1,3-dioxolan-2-yl)-2-fluoroacetate?
The InChIKey is PXVREMFRAXYHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO4/c1-3-8(12-4-5-13-8)6(9)7(10)11-2/h6H,3-5H2,1-2H3.
What are the key properties of methyl 2-(2-ethyl-1,3-dioxolan-2-yl)-2-fluoroacetate?
methyl 2-(2-ethyl-1,3-dioxolan-2-yl)-2-fluoroacetate 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 methyl 2-(2-ethyl-1,3-dioxolan-2-yl)-2-fluoroacetate is sourced from PubChem (CID 86637054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).