4-(2-ethenoxyethoxy)-2,3,5,6-tetrafluorobenzoic acid

C11H8F4O4 — CID 87178894

IUPAC4-(2-ethenoxyethoxy)-2,3,5,6-tetrafluorobenzoic acid
SMILESC=COCCOc1c(F)c(F)c(C(=O)O)c(F)c1F
InChIInChI=1S/C11H8F4O4/c1-2-18-3-4-19-10-8(14)6(12)5(11(16)17)7(13)9(10)15/h2H,1,3-4H2,(H,16,17)
InChIKeyKHSLCJXRYGAODQ-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.48
Rot. Bonds6

About 4-(2-ethenoxyethoxy)-2,3,5,6-tetrafluorobenzoic acid

4-(2-ethenoxyethoxy)-2,3,5,6-tetrafluorobenzoic acid (PubChem CID 87178894) has the molecular formula C11H8F4O4 and a molecular weight of 280.17 g/mol. Its IUPAC name is 4-(2-ethenoxyethoxy)-2,3,5,6-tetrafluorobenzoic acid.

Molecular Properties

Compound Name4-(2-ethenoxyethoxy)-2,3,5,6-tetrafluorobenzoic acid
PubChem CID87178894
Molecular FormulaC11H8F4O4
Molecular Weight280.17 g/mol
Exact Mass280.04
IUPAC Name4-(2-ethenoxyethoxy)-2,3,5,6-tetrafluorobenzoic acid
SMILESC=COCCOc1c(F)c(F)c(C(=O)O)c(F)c1F
InChIInChI=1S/C11H8F4O4/c1-2-18-3-4-19-10-8(14)6(12)5(11(16)17)7(13)9(10)15/h2H,1,3-4H2,(H,16,17)
InChIKeyKHSLCJXRYGAODQ-UHFFFAOYSA-N
XLogP2.48
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethenoxyethoxy)-2,3,5,6-tetrafluorobenzoic acid?
The IUPAC name of 4-(2-ethenoxyethoxy)-2,3,5,6-tetrafluorobenzoic acid (CID 87178894) is 4-(2-ethenoxyethoxy)-2,3,5,6-tetrafluorobenzoic acid.
What is the SMILES notation for 4-(2-ethenoxyethoxy)-2,3,5,6-tetrafluorobenzoic acid?
The canonical SMILES for 4-(2-ethenoxyethoxy)-2,3,5,6-tetrafluorobenzoic acid is C=COCCOc1c(F)c(F)c(C(=O)O)c(F)c1F.
What is the InChIKey of 4-(2-ethenoxyethoxy)-2,3,5,6-tetrafluorobenzoic acid?
The InChIKey is KHSLCJXRYGAODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4O4/c1-2-18-3-4-19-10-8(14)6(12)5(11(16)17)7(13)9(10)15/h2H,1,3-4H2,(H,16,17).
What are the key properties of 4-(2-ethenoxyethoxy)-2,3,5,6-tetrafluorobenzoic acid?
4-(2-ethenoxyethoxy)-2,3,5,6-tetrafluorobenzoic acid has a molecular weight of 280.17 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethenoxyethoxy)-2,3,5,6-tetrafluorobenzoic acid is sourced from PubChem (CID 87178894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).