1-[(4-ethoxycyclohexyl)oxy-difluoromethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene

C18H24F6O2 — CID 121478628

IUPAC1-[(4-ethoxycyclohexyl)oxy-difluoromethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
SMILESCCCC1=CC=C(C(F)(F)OC2CCC(OCC)CC2)C(F)(F)C1(F)F
InChIInChI=1S/C18H24F6O2/c1-3-5-12-6-11-15(17(21,22)16(12,19)20)18(23,24)26-14-9-7-13(8-10-14)25-4-2/h6,11,13-14H,3-5,7-10H2,1-2H3
InChIKeyTWJZZLKRRQBWAM-UHFFFAOYSA-N
MW386.38 g/mol
LogP5.88
Rot. Bonds7

About 1-[(4-ethoxycyclohexyl)oxy-difluoromethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene

1-[(4-ethoxycyclohexyl)oxy-difluoromethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene (PubChem CID 121478628) has the molecular formula C18H24F6O2 and a molecular weight of 386.38 g/mol. Its IUPAC name is 1-[(4-ethoxycyclohexyl)oxy-difluoromethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-[(4-ethoxycyclohexyl)oxy-difluoromethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
PubChem CID121478628
Molecular FormulaC18H24F6O2
Molecular Weight386.38 g/mol
Exact Mass386.17
IUPAC Name1-[(4-ethoxycyclohexyl)oxy-difluoromethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
SMILESCCCC1=CC=C(C(F)(F)OC2CCC(OCC)CC2)C(F)(F)C1(F)F
InChIInChI=1S/C18H24F6O2/c1-3-5-12-6-11-15(17(21,22)16(12,19)20)18(23,24)26-14-9-7-13(8-10-14)25-4-2/h6,11,13-14H,3-5,7-10H2,1-2H3
InChIKeyTWJZZLKRRQBWAM-UHFFFAOYSA-N
XLogP5.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.38
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-Difluoro-7-methyl-3-(trifluoromethyl)-1,3,5,6-tetrahydroisochromene
CID 71083788
1-[Difluoro-(4-propylcyclohexyl)oxymethyl]-4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-diene
CID 121476211
1-[Difluoro-(4-methylcyclohexyl)oxymethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
CID 121476214
1-Ethyl-5,5,6,6-tetrafluoro-4-[(4-propylcyclohexyl)oxymethyl]cyclohexa-1,3-diene
CID 121476219
1-[Difluoro-(5,5,6,6-tetrafluoro-4-pentylcyclohexa-1,3-dien-1-yl)methoxy]-4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-diene
CID 141641252
2-fluoro-4-[(3Z)-7-fluoro-5,6-dimethylideneocta-1,3,7-trien-2-yl]-1-(1-methoxyethyl)cyclohexa-1,3-diene
CID 143772912
1-[Cyclohexyloxy(difluoro)methyl]-5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-diene
CID 144809491
2-(5,5,6,6-Tetrafluoro-4-methylcyclohexa-1,3-dien-1-yl)oxane
CID 144809522
5-[4-[[3,5-Difluoro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxy-difluoromethyl]-3,5-difluorocyclohexa-1,3-dien-1-yl]-4,6-difluoro-1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)cyclohepta-1,2,4-triene
CID 146259557
4-[2,6-Difluoro-4-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-1-[[3,5-difluoro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxy-difluoromethyl]-2,6-difluorocyclohexa-1,3-diene
CID 146259558
6-[(4,4-difluorocyclohexen-1-yl)methyl]-4-methyl-3,6-dihydro-2H-pyran
CID 155223354
(3E)-3-[2-(difluoromethoxy)prop-2-enylidene]-5-fluoro-2-methyl-4-methylidene-6-propyloxane
CID 177207236

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxycyclohexyl)oxy-difluoromethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene?
The IUPAC name of 1-[(4-ethoxycyclohexyl)oxy-difluoromethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene (CID 121478628) is 1-[(4-ethoxycyclohexyl)oxy-difluoromethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene.
What is the SMILES notation for 1-[(4-ethoxycyclohexyl)oxy-difluoromethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene?
The canonical SMILES for 1-[(4-ethoxycyclohexyl)oxy-difluoromethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene is CCCC1=CC=C(C(F)(F)OC2CCC(OCC)CC2)C(F)(F)C1(F)F.
What is the InChIKey of 1-[(4-ethoxycyclohexyl)oxy-difluoromethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene?
The InChIKey is TWJZZLKRRQBWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F6O2/c1-3-5-12-6-11-15(17(21,22)16(12,19)20)18(23,24)26-14-9-7-13(8-10-14)25-4-2/h6,11,13-14H,3-5,7-10H2,1-2H3.
What are the key properties of 1-[(4-ethoxycyclohexyl)oxy-difluoromethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene?
1-[(4-ethoxycyclohexyl)oxy-difluoromethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene has a molecular weight of 386.38 g/mol, XLogP of 5.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxycyclohexyl)oxy-difluoromethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene is sourced from PubChem (CID 121478628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).