ethyl 2-fluoro-2-(2,3,5,6-tetrafluorophenoxy)acetate

C10H7F5O3 — CID 103288804

IUPACethyl 2-fluoro-2-(2,3,5,6-tetrafluorophenoxy)acetate
SMILESCCOC(=O)C(F)Oc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H7F5O3/c1-2-17-10(16)9(15)18-8-6(13)4(11)3-5(12)7(8)14/h3,9H,2H2,1H3
InChIKeyGVRZWNDFEBSGNH-UHFFFAOYSA-N
MW270.15 g/mol
LogP2.48
Rot. Bonds4

About ethyl 2-fluoro-2-(2,3,5,6-tetrafluorophenoxy)acetate

ethyl 2-fluoro-2-(2,3,5,6-tetrafluorophenoxy)acetate (PubChem CID 103288804) has the molecular formula C10H7F5O3 and a molecular weight of 270.15 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(2,3,5,6-tetrafluorophenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(2,3,5,6-tetrafluorophenoxy)acetate
PubChem CID103288804
Molecular FormulaC10H7F5O3
Molecular Weight270.15 g/mol
Exact Mass270.03
IUPAC Nameethyl 2-fluoro-2-(2,3,5,6-tetrafluorophenoxy)acetate
SMILESCCOC(=O)C(F)Oc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H7F5O3/c1-2-17-10(16)9(15)18-8-6(13)4(11)3-5(12)7(8)14/h3,9H,2H2,1H3
InChIKeyGVRZWNDFEBSGNH-UHFFFAOYSA-N
XLogP2.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-fluoro-2-(3-fluorophenoxy)acetate
CID 79356645
ethyl 2-(ethylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoate
CID 103290033
ethyl 2-(3-chloro-2-fluorophenoxy)-2-fluoroacetate
CID 116688472
(3R)-3-(2,3,5,6-tetrafluorophenoxy)butanoic acid
CID 103548238
ethyl 2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]propanoate
CID 79892083
diethyl 2-(3-acetyloxy-2,4,5-trifluorobenzoyl)propanedioate
CID 54155163
ethyl (3R)-3-amino-2-fluoro-3-(2,3,5-trifluorophenyl)propanoate
CID 171241412
3-methoxy-3-oxo-2-(2,3,5,6-tetrafluorophenoxy)propanoic acid
CID 59256880
ethyl 2-(2-bromo-4-methylphenoxy)-2-fluoroacetate
CID 79357029
ethyl 2-(5-bromo-2-methylphenoxy)-2-fluoroacetate
CID 107283157
ethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate
CID 79356641
ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate
CID 117108858

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(2,3,5,6-tetrafluorophenoxy)acetate?
The IUPAC name of ethyl 2-fluoro-2-(2,3,5,6-tetrafluorophenoxy)acetate (CID 103288804) is ethyl 2-fluoro-2-(2,3,5,6-tetrafluorophenoxy)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(2,3,5,6-tetrafluorophenoxy)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(2,3,5,6-tetrafluorophenoxy)acetate is CCOC(=O)C(F)Oc1c(F)c(F)cc(F)c1F.
What is the InChIKey of ethyl 2-fluoro-2-(2,3,5,6-tetrafluorophenoxy)acetate?
The InChIKey is GVRZWNDFEBSGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O3/c1-2-17-10(16)9(15)18-8-6(13)4(11)3-5(12)7(8)14/h3,9H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(2,3,5,6-tetrafluorophenoxy)acetate?
ethyl 2-fluoro-2-(2,3,5,6-tetrafluorophenoxy)acetate has a molecular weight of 270.15 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(2,3,5,6-tetrafluorophenoxy)acetate is sourced from PubChem (CID 103288804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).