5-ethoxy-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]oxolan-2-one

C15H16F4O4 — CID 139757381

IUPAC5-ethoxy-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]oxolan-2-one
SMILESCCOC1OC(=O)CC1c1ccc(OCC(F)(F)C(F)F)cc1
InChIInChI=1S/C15H16F4O4/c1-2-21-13-11(7-12(20)23-13)9-3-5-10(6-4-9)22-8-15(18,19)14(16)17/h3-6,11,13-14H,2,7-8H2,1H3
InChIKeyDZXYRNRZFTUYHH-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.36
Rot. Bonds7

About 5-ethoxy-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]oxolan-2-one

5-ethoxy-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]oxolan-2-one (PubChem CID 139757381) has the molecular formula C15H16F4O4 and a molecular weight of 336.28 g/mol. Its IUPAC name is 5-ethoxy-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]oxolan-2-one.

Molecular Properties

Compound Name5-ethoxy-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]oxolan-2-one
PubChem CID139757381
Molecular FormulaC15H16F4O4
Molecular Weight336.28 g/mol
Exact Mass336.10
IUPAC Name5-ethoxy-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]oxolan-2-one
SMILESCCOC1OC(=O)CC1c1ccc(OCC(F)(F)C(F)F)cc1
InChIInChI=1S/C15H16F4O4/c1-2-21-13-11(7-12(20)23-13)9-3-5-10(6-4-9)22-8-15(18,19)14(16)17/h3-6,11,13-14H,2,7-8H2,1H3
InChIKeyDZXYRNRZFTUYHH-UHFFFAOYSA-N
XLogP3.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]oxolan-2-one?
The IUPAC name of 5-ethoxy-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]oxolan-2-one (CID 139757381) is 5-ethoxy-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]oxolan-2-one.
What is the SMILES notation for 5-ethoxy-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]oxolan-2-one?
The canonical SMILES for 5-ethoxy-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]oxolan-2-one is CCOC1OC(=O)CC1c1ccc(OCC(F)(F)C(F)F)cc1.
What is the InChIKey of 5-ethoxy-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]oxolan-2-one?
The InChIKey is DZXYRNRZFTUYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4O4/c1-2-21-13-11(7-12(20)23-13)9-3-5-10(6-4-9)22-8-15(18,19)14(16)17/h3-6,11,13-14H,2,7-8H2,1H3.
What are the key properties of 5-ethoxy-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]oxolan-2-one?
5-ethoxy-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]oxolan-2-one has a molecular weight of 336.28 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]oxolan-2-one is sourced from PubChem (CID 139757381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).