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

C11H4F10O3 — CID 91710743

IUPAC2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(OCCOc1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H4F10O3/c12-3-4(13)6(15)8(7(16)5(3)14)23-1-2-24-9(22)10(17,18)11(19,20)21/h1-2H2
InChIKeyMXYICOZLRXPIIQ-UHFFFAOYSA-N
MW374.13 g/mol
LogP3.50
Rot. Bonds5

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

2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91710743) has the molecular formula C11H4F10O3 and a molecular weight of 374.13 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID91710743
Molecular FormulaC11H4F10O3
Molecular Weight374.13 g/mol
Exact Mass374.00
IUPAC Name2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(OCCOc1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H4F10O3/c12-3-4(13)6(15)8(7(16)5(3)14)23-1-2-24-9(22)10(17,18)11(19,20)21/h1-2H2
InChIKeyMXYICOZLRXPIIQ-UHFFFAOYSA-N
XLogP3.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.13
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Perfluorophenyl acetate
CID 87968
(Pentafluorophenoxy)acetic acid
CID 84680
Pentafluorophenylmethacrylate
CID 193480
Pentafluorophenyl Trifluoroacetate
CID 4327891
Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-(2,3,4,5,6-pentafluorophenoxy)-
CID 90764
Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(2,3,4,5,6-pentafluorophenoxy)propoxy]-
CID 117273
Pentafluoro[1,2,2-trifluoro-2-[(trifluorovinyl)oxy]-1-(trifluoromethyl)ethoxy]benzene
CID 90525
(2,3,4,5,6-Pentafluorophenyl) prop-2-enoate
CID 2775973
2-(Pentafluorophenoxy)ethanol
CID 603435
2,3,5,6-Tetrafluorophenyl trifluoroacetate
CID 15334258
Propanoic acid, 3-mercapto-, pentafluorophenyl ester
CID 11254277
Phenyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 2827942

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2,3,3,3-pentafluoropropanoate (CID 91710743) is 2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2,3,3,3-pentafluoropropanoate is O=C(OCCOc1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is MXYICOZLRXPIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F10O3/c12-3-4(13)6(15)8(7(16)5(3)14)23-1-2-24-9(22)10(17,18)11(19,20)21/h1-2H2.
What are the key properties of 2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2,3,3,3-pentafluoropropanoate?
2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 374.13 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91710743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).