ethyl 2-fluoro-2-(3-methoxy-3-methylbutoxy)acetate

C10H19FO4 — CID 106664712

IUPACethyl 2-fluoro-2-(3-methoxy-3-methylbutoxy)acetate
SMILESCCOC(=O)C(F)OCCC(C)(C)OC
InChIInChI=1S/C10H19FO4/c1-5-14-9(12)8(11)15-7-6-10(2,3)13-4/h8H,5-7H2,1-4H3
InChIKeyCZMQVNAEXXCLMU-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.68
Rot. Bonds7

About ethyl 2-fluoro-2-(3-methoxy-3-methylbutoxy)acetate

ethyl 2-fluoro-2-(3-methoxy-3-methylbutoxy)acetate (PubChem CID 106664712) has the molecular formula C10H19FO4 and a molecular weight of 222.26 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(3-methoxy-3-methylbutoxy)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(3-methoxy-3-methylbutoxy)acetate
PubChem CID106664712
Molecular FormulaC10H19FO4
Molecular Weight222.26 g/mol
Exact Mass222.13
IUPAC Nameethyl 2-fluoro-2-(3-methoxy-3-methylbutoxy)acetate
SMILESCCOC(=O)C(F)OCCC(C)(C)OC
InChIInChI=1S/C10H19FO4/c1-5-14-9(12)8(11)15-7-6-10(2,3)13-4/h8H,5-7H2,1-4H3
InChIKeyCZMQVNAEXXCLMU-UHFFFAOYSA-N
XLogP1.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-fluoro-2-octoxyacetate
CID 79357216
ethyl 2-amino-4-(3-methoxy-3-methylbutoxy)butanoate
CID 106666825
ethyl 5-methoxy-2,5-dimethylhexanoate
CID 154290351
ethyl 6-methoxy-2,6-dimethylheptanoate
CID 118230502
3-(3-methoxy-3-methylbutoxy)butan-2-one
CID 58421308
3-amino-2-(3-methoxy-3-methylbutoxy)propanoic acid
CID 106668506
1-O-ethyl 6-O-(3-methoxy-3-methylbutyl) hexanedioate
CID 71397391
acetic acid;(3-methoxy-3-methylbutyl) acetate
CID 162329695
(3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate
CID 140987016
4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propylamino)pentanamide
CID 106666691
ethyl 2-(cyclopropylamino)-3-(3-methoxy-3-methylbutoxy)propanoate
CID 106666692
(3-methoxy-3-methylbutyl) 2-(methylamino)butanoate
CID 106666081

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(3-methoxy-3-methylbutoxy)acetate?
The IUPAC name of ethyl 2-fluoro-2-(3-methoxy-3-methylbutoxy)acetate (CID 106664712) is ethyl 2-fluoro-2-(3-methoxy-3-methylbutoxy)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(3-methoxy-3-methylbutoxy)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(3-methoxy-3-methylbutoxy)acetate is CCOC(=O)C(F)OCCC(C)(C)OC.
What is the InChIKey of ethyl 2-fluoro-2-(3-methoxy-3-methylbutoxy)acetate?
The InChIKey is CZMQVNAEXXCLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO4/c1-5-14-9(12)8(11)15-7-6-10(2,3)13-4/h8H,5-7H2,1-4H3.
What are the key properties of ethyl 2-fluoro-2-(3-methoxy-3-methylbutoxy)acetate?
ethyl 2-fluoro-2-(3-methoxy-3-methylbutoxy)acetate has a molecular weight of 222.26 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(3-methoxy-3-methylbutoxy)acetate is sourced from PubChem (CID 106664712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).