ethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate

C12H12F4O3 — CID 88799052

IUPACethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C12H12F4O3/c1-2-18-10(17)7-8-3-5-9(6-4-8)19-12(15,16)11(13)14/h3-6,11H,2,7H2,1H3
InChIKeyXRAZMWZZGLRWNJ-UHFFFAOYSA-N
MW280.22 g/mol
LogP3.03
Rot. Bonds6

About ethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate

ethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate (PubChem CID 88799052) has the molecular formula C12H12F4O3 and a molecular weight of 280.22 g/mol. Its IUPAC name is ethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
PubChem CID88799052
Molecular FormulaC12H12F4O3
Molecular Weight280.22 g/mol
Exact Mass280.07
IUPAC Nameethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C12H12F4O3/c1-2-18-10(17)7-8-3-5-9(6-4-8)19-12(15,16)11(13)14/h3-6,11H,2,7H2,1H3
InChIKeyXRAZMWZZGLRWNJ-UHFFFAOYSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 170432744
N'-hydroxy-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanimidamide
CID 156545746
ethyl 4-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]benzoate
CID 11632715
CID 58447889
CID 58447889
ethyl 2-(4-trimethylsilylphenyl)acetate
CID 125466611
ethyl 2-(4-methanimidoylphenyl)acetate
CID 86679361
diethyl 2-[[4-(2-ethoxy-2-oxoethyl)phenyl]methyl]-2-methylpropanedioate
CID 10498038
ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
CID 23349504
1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine
CID 170890919
ethyl 2-phenylacetate
CID 7590
ethyl 2-[4-(3-aminopropoxy)phenyl]acetate
CID 162639938
ethyl 4-[4-(2-ethoxy-2-oxoethyl)phenoxy]benzoate
CID 132581911

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate?
The IUPAC name of ethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate (CID 88799052) is ethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate is CCOC(=O)Cc1ccc(OC(F)(F)C(F)F)cc1.
What is the InChIKey of ethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate?
The InChIKey is XRAZMWZZGLRWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4O3/c1-2-18-10(17)7-8-3-5-9(6-4-8)19-12(15,16)11(13)14/h3-6,11H,2,7H2,1H3.
What are the key properties of ethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate?
ethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate has a molecular weight of 280.22 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate is sourced from PubChem (CID 88799052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).