5-[(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-propyloxane

C17H24F4O2 — CID 121476216

IUPAC5-[(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-propyloxane
SMILESCCCC1CCC(COC2=CC=C(CC)C(F)(F)C2(F)F)CO1
InChIInChI=1S/C17H24F4O2/c1-3-5-14-8-6-12(10-22-14)11-23-15-9-7-13(4-2)16(18,19)17(15,20)21/h7,9,12,14H,3-6,8,10-11H2,1-2H3
InChIKeyUWMBFFJHCNOGMU-UHFFFAOYSA-N
MW336.37 g/mol
LogP5.10
Rot. Bonds6

About 5-[(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-propyloxane

5-[(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-propyloxane (PubChem CID 121476216) has the molecular formula C17H24F4O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 5-[(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-propyloxane.

Molecular Properties

Compound Name5-[(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-propyloxane
PubChem CID121476216
Molecular FormulaC17H24F4O2
Molecular Weight336.37 g/mol
Exact Mass336.17
IUPAC Name5-[(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-propyloxane
SMILESCCCC1CCC(COC2=CC=C(CC)C(F)(F)C2(F)F)CO1
InChIInChI=1S/C17H24F4O2/c1-3-5-14-8-6-12(10-22-14)11-23-15-9-7-13(4-2)16(18,19)17(15,20)21/h7,9,12,14H,3-6,8,10-11H2,1-2H3
InChIKeyUWMBFFJHCNOGMU-UHFFFAOYSA-N
XLogP5.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.37
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-propyloxane?
The IUPAC name of 5-[(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-propyloxane (CID 121476216) is 5-[(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-propyloxane.
What is the SMILES notation for 5-[(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-propyloxane?
The canonical SMILES for 5-[(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-propyloxane is CCCC1CCC(COC2=CC=C(CC)C(F)(F)C2(F)F)CO1.
What is the InChIKey of 5-[(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-propyloxane?
The InChIKey is UWMBFFJHCNOGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F4O2/c1-3-5-14-8-6-12(10-22-14)11-23-15-9-7-13(4-2)16(18,19)17(15,20)21/h7,9,12,14H,3-6,8,10-11H2,1-2H3.
What are the key properties of 5-[(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-propyloxane?
5-[(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-propyloxane has a molecular weight of 336.37 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxymethyl]-2-propyloxane is sourced from PubChem (CID 121476216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).