2-(2,2,2-trifluoroethoxy)ethyl propanoate

C7H11F3O3 — CID 88537636

IUPAC2-(2,2,2-trifluoroethoxy)ethyl propanoate
SMILESCCC(=O)OCCOCC(F)(F)F
InChIInChI=1S/C7H11F3O3/c1-2-6(11)13-4-3-12-5-7(8,9)10/h2-5H2,1H3
InChIKeyYIWBFABQZOMANH-UHFFFAOYSA-N
MW200.16 g/mol
LogP1.52
Rot. Bonds5

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

2-(2,2,2-trifluoroethoxy)ethyl propanoate (PubChem CID 88537636) has the molecular formula C7H11F3O3 and a molecular weight of 200.16 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)ethyl propanoate.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)ethyl propanoate
PubChem CID88537636
Molecular FormulaC7H11F3O3
Molecular Weight200.16 g/mol
Exact Mass200.07
IUPAC Name2-(2,2,2-trifluoroethoxy)ethyl propanoate
SMILESCCC(=O)OCCOCC(F)(F)F
InChIInChI=1S/C7H11F3O3/c1-2-6(11)13-4-3-12-5-7(8,9)10/h2-5H2,1H3
InChIKeyYIWBFABQZOMANH-UHFFFAOYSA-N
XLogP1.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate
CID 87832523
2-(2-chloroethoxy)ethyl propanoate
CID 5092973
2-(2,2,2-trifluoroethoxy)ethyl 2-ethoxypropanoate
CID 88537702
1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethane
CID 87282326
2-[2,2-bis(2-propanoyloxyethoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl propanoate
CID 89084261
2-(2-propanoyloxyethoxy)acetic acid
CID 171607283
2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921
2-propanoyloxyethyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
CID 163957916
2-(2-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-oxobutanoate
CID 87788942
2-propoxyethyl 2-(2,2,2-trifluoroethylamino)acetate
CID 79258201
2,2-difluoro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]propanoic acid
CID 71623084

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)ethyl propanoate?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)ethyl propanoate (CID 88537636) is 2-(2,2,2-trifluoroethoxy)ethyl propanoate.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)ethyl propanoate?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)ethyl propanoate is CCC(=O)OCCOCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)ethyl propanoate?
The InChIKey is YIWBFABQZOMANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O3/c1-2-6(11)13-4-3-12-5-7(8,9)10/h2-5H2,1H3.
What are the key properties of 2-(2,2,2-trifluoroethoxy)ethyl propanoate?
2-(2,2,2-trifluoroethoxy)ethyl propanoate has a molecular weight of 200.16 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)ethyl propanoate is sourced from PubChem (CID 88537636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).