2-(2,2,2-trifluoroethoxy)ethyl 2-ethoxypropanoate

C9H15F3O4 — CID 88537702

IUPAC2-(2,2,2-trifluoroethoxy)ethyl 2-ethoxypropanoate
SMILESCCOC(C)C(=O)OCCOCC(F)(F)F
InChIInChI=1S/C9H15F3O4/c1-3-15-7(2)8(13)16-5-4-14-6-9(10,11)12/h7H,3-6H2,1-2H3
InChIKeyYUFHLNVIMPWDLH-UHFFFAOYSA-N
MW244.21 g/mol
LogP1.53
Rot. Bonds7

About 2-(2,2,2-trifluoroethoxy)ethyl 2-ethoxypropanoate

2-(2,2,2-trifluoroethoxy)ethyl 2-ethoxypropanoate (PubChem CID 88537702) has the molecular formula C9H15F3O4 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)ethyl 2-ethoxypropanoate.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)ethyl 2-ethoxypropanoate
PubChem CID88537702
Molecular FormulaC9H15F3O4
Molecular Weight244.21 g/mol
Exact Mass244.09
IUPAC Name2-(2,2,2-trifluoroethoxy)ethyl 2-ethoxypropanoate
SMILESCCOC(C)C(=O)OCCOCC(F)(F)F
InChIInChI=1S/C9H15F3O4/c1-3-15-7(2)8(13)16-5-4-14-6-9(10,11)12/h7H,3-6H2,1-2H3
InChIKeyYUFHLNVIMPWDLH-UHFFFAOYSA-N
XLogP1.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,2,2-trifluoroethoxy)ethyl propanoate
CID 88537636
heptyl 2-ethoxypropanoate
CID 175702782
CID 21266963
CID 21266963
2-[2,2-difluoro-2-(fluoromethoxy)ethoxy]ethyl 2-methylbutanoate
CID 168734514
ethyl 3-oxo-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentanoate
CID 103150170
1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethane
CID 87282326
1-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl 2,4-dimethylpentanoate
CID 170118772
amino 2-ethoxypropanoate
CID 87914402
2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
CID 167342621
ethyl 2-ethyl-3-oxo-5-(2,2,2-trifluoroethoxy)pentanoate
CID 103150167
4-ethoxy-2,2-dimethylpentan-3-one
CID 64540696
3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]butane
CID 171600515

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)ethyl 2-ethoxypropanoate?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)ethyl 2-ethoxypropanoate (CID 88537702) is 2-(2,2,2-trifluoroethoxy)ethyl 2-ethoxypropanoate.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)ethyl 2-ethoxypropanoate?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)ethyl 2-ethoxypropanoate is CCOC(C)C(=O)OCCOCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)ethyl 2-ethoxypropanoate?
The InChIKey is YUFHLNVIMPWDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O4/c1-3-15-7(2)8(13)16-5-4-14-6-9(10,11)12/h7H,3-6H2,1-2H3.
What are the key properties of 2-(2,2,2-trifluoroethoxy)ethyl 2-ethoxypropanoate?
2-(2,2,2-trifluoroethoxy)ethyl 2-ethoxypropanoate has a molecular weight of 244.21 g/mol, XLogP of 1.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)ethyl 2-ethoxypropanoate is sourced from PubChem (CID 88537702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).