1,2-diethoxyethyl 2-fluoropropanoate

C9H17FO4 — CID 54529340

IUPAC1,2-diethoxyethyl 2-fluoropropanoate
SMILESCCOCC(OCC)OC(=O)C(C)F
InChIInChI=1S/C9H17FO4/c1-4-12-6-8(13-5-2)14-9(11)7(3)10/h7-8H,4-6H2,1-3H3
InChIKeyQQCGWRGQLSYYBV-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.29
Rot. Bonds7

About 1,2-diethoxyethyl 2-fluoropropanoate

1,2-diethoxyethyl 2-fluoropropanoate (PubChem CID 54529340) has the molecular formula C9H17FO4 and a molecular weight of 208.23 g/mol. Its IUPAC name is 1,2-diethoxyethyl 2-fluoropropanoate.

Molecular Properties

Compound Name1,2-diethoxyethyl 2-fluoropropanoate
PubChem CID54529340
Molecular FormulaC9H17FO4
Molecular Weight208.23 g/mol
Exact Mass208.11
IUPAC Name1,2-diethoxyethyl 2-fluoropropanoate
SMILESCCOCC(OCC)OC(=O)C(C)F
InChIInChI=1S/C9H17FO4/c1-4-12-6-8(13-5-2)14-9(11)7(3)10/h7-8H,4-6H2,1-3H3
InChIKeyQQCGWRGQLSYYBV-UHFFFAOYSA-N
XLogP1.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Ethylylidene triacetate
CID 76325
Ethylidene bispropionate
CID 546223
1-[1-(1-Propoxypropoxy)propoxy]propan-1-ol, pentafluoropropionate
CID 91733774
(Methylenebis(oxy))bis(ethane-2,1-diyl) diacetate
CID 22942534
1,2-Diethoxyethyl acetate
CID 54275785
(Acetoxyethoxy)-methyl ether
CID 129729711
Ethyl 3,3-diethoxy-2-fluoropropanoate
CID 13844046
[1,3,4-Trifluoro-1-(1-propan-2-yloxybutoxy)butan-2-yl] acetate
CID 22934434
2-(2-Ethoxyethoxy)ethyl 2-fluoropropanoate
CID 57134325
1-(2-Ethoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 118909861
[(1S,2S)-1-(1,3-dibutoxypropan-2-yloxy)-2-fluoropropyl] acetate
CID 122453760
[(1S)-1,2-diacetyloxyethyl] (2S)-2-fluoropropanoate
CID 122453773

Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxyethyl 2-fluoropropanoate?
The IUPAC name of 1,2-diethoxyethyl 2-fluoropropanoate (CID 54529340) is 1,2-diethoxyethyl 2-fluoropropanoate.
What is the SMILES notation for 1,2-diethoxyethyl 2-fluoropropanoate?
The canonical SMILES for 1,2-diethoxyethyl 2-fluoropropanoate is CCOCC(OCC)OC(=O)C(C)F.
What is the InChIKey of 1,2-diethoxyethyl 2-fluoropropanoate?
The InChIKey is QQCGWRGQLSYYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO4/c1-4-12-6-8(13-5-2)14-9(11)7(3)10/h7-8H,4-6H2,1-3H3.
What are the key properties of 1,2-diethoxyethyl 2-fluoropropanoate?
1,2-diethoxyethyl 2-fluoropropanoate has a molecular weight of 208.23 g/mol, XLogP of 1.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxyethyl 2-fluoropropanoate is sourced from PubChem (CID 54529340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).