ethyl 2-(2,3,4,5,6-pentafluorophenoxy)acetate

C10H7F5O3 — CID 4513854

IUPACethyl 2-(2,3,4,5,6-pentafluorophenoxy)acetate
SMILESCCOC(=O)COc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H7F5O3/c1-2-17-4(16)3-18-10-8(14)6(12)5(11)7(13)9(10)15/h2-3H2,1H3
InChIKeyJWZNQDDCDHKEOR-UHFFFAOYSA-N
MW270.15 g/mol
LogP2.32
Rot. Bonds4

About ethyl 2-(2,3,4,5,6-pentafluorophenoxy)acetate

ethyl 2-(2,3,4,5,6-pentafluorophenoxy)acetate (PubChem CID 4513854) has the molecular formula C10H7F5O3 and a molecular weight of 270.15 g/mol. Its IUPAC name is ethyl 2-(2,3,4,5,6-pentafluorophenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3,4,5,6-pentafluorophenoxy)acetate
PubChem CID4513854
Molecular FormulaC10H7F5O3
Molecular Weight270.15 g/mol
Exact Mass270.03
IUPAC Nameethyl 2-(2,3,4,5,6-pentafluorophenoxy)acetate
SMILESCCOC(=O)COc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H7F5O3/c1-2-17-4(16)3-18-10-8(14)6(12)5(11)7(13)9(10)15/h2-3H2,1H3
InChIKeyJWZNQDDCDHKEOR-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[ethyl-[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]acetate
CID 170570488
4-ethoxy-4-oxo-2-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]butanoic acid
CID 86614690
ethyl 2-(4-amino-2,6-dimethylphenoxy)acetate
CID 5305638
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethane;ethyl (2,3,4,5,6-pentafluorophenyl) carbonate
CID 171836152
ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate
CID 875019
ethyl 2-(3-amino-2-fluorophenoxy)acetate
CID 141351730
2-(2,3,4,5,6-pentafluorophenoxy)acetohydrazide
CID 3248816
ethyl 2-[[26,27,28-tris(2-ethoxy-2-oxoethoxy)-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-25-yl]oxy]acetate
CID 15471713
2-(2,6-dimethylphenoxy)acetic acid;ethyl 2-(2,6-dimethylphenoxy)acetate
CID 158433715
ethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)oxyacetate
CID 134521692
ethyl 2-(4-carbamothioyl-2,6-dimethylphenoxy)acetate
CID 65470204

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3,4,5,6-pentafluorophenoxy)acetate?
The IUPAC name of ethyl 2-(2,3,4,5,6-pentafluorophenoxy)acetate (CID 4513854) is ethyl 2-(2,3,4,5,6-pentafluorophenoxy)acetate.
What is the SMILES notation for ethyl 2-(2,3,4,5,6-pentafluorophenoxy)acetate?
The canonical SMILES for ethyl 2-(2,3,4,5,6-pentafluorophenoxy)acetate is CCOC(=O)COc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of ethyl 2-(2,3,4,5,6-pentafluorophenoxy)acetate?
The InChIKey is JWZNQDDCDHKEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O3/c1-2-17-4(16)3-18-10-8(14)6(12)5(11)7(13)9(10)15/h2-3H2,1H3.
What are the key properties of ethyl 2-(2,3,4,5,6-pentafluorophenoxy)acetate?
ethyl 2-(2,3,4,5,6-pentafluorophenoxy)acetate has a molecular weight of 270.15 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3,4,5,6-pentafluorophenoxy)acetate is sourced from PubChem (CID 4513854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).