2-[2-ethyl-1,1,1-trifluoro-6-(oxan-2-yloxy)heptan-2-yl]oxyoxane

C19H33F3O4 — CID 23405360

IUPAC2-[2-ethyl-1,1,1-trifluoro-6-(oxan-2-yloxy)heptan-2-yl]oxyoxane
SMILESCCC(CCCC(C)OC1CCCCO1)(OC1CCCCO1)C(F)(F)F
InChIInChI=1S/C19H33F3O4/c1-3-18(19(20,21)22,26-17-11-5-7-14-24-17)12-8-9-15(2)25-16-10-4-6-13-23-16/h15-17H,3-14H2,1-2H3
InChIKeyWPWCSKQIFMHIPB-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.34
Rot. Bonds9

About 2-[2-ethyl-1,1,1-trifluoro-6-(oxan-2-yloxy)heptan-2-yl]oxyoxane

2-[2-ethyl-1,1,1-trifluoro-6-(oxan-2-yloxy)heptan-2-yl]oxyoxane (PubChem CID 23405360) has the molecular formula C19H33F3O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[2-ethyl-1,1,1-trifluoro-6-(oxan-2-yloxy)heptan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[2-ethyl-1,1,1-trifluoro-6-(oxan-2-yloxy)heptan-2-yl]oxyoxane
PubChem CID23405360
Molecular FormulaC19H33F3O4
Molecular Weight382.46 g/mol
Exact Mass382.23
IUPAC Name2-[2-ethyl-1,1,1-trifluoro-6-(oxan-2-yloxy)heptan-2-yl]oxyoxane
SMILESCCC(CCCC(C)OC1CCCCO1)(OC1CCCCO1)C(F)(F)F
InChIInChI=1S/C19H33F3O4/c1-3-18(19(20,21)22,26-17-11-5-7-14-24-17)12-8-9-15(2)25-16-10-4-6-13-23-16/h15-17H,3-14H2,1-2H3
InChIKeyWPWCSKQIFMHIPB-UHFFFAOYSA-N
XLogP5.34
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Octoxycyclohexyl)-5-(4,4,4-trifluorobutyl)-1,3-dioxane
CID 19026627
1-Butan-2-yl-3,5-bis[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 21053294
3-(6-Fluoro-6-methylheptyl)-2-[3-(6-fluoro-6-methylheptyl)oxan-2-yl]oxyoxane
CID 54358287
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxan-2-yl]oxypropoxy]-6-methyl-4-(trifluoromethyl)oxane
CID 59010338
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxypropoxy]-6-methyloxane
CID 59010340
2-[6-(3,5-Difluoro-4-methylcyclohexyl)oxan-3-yl]-5-methyl-1,3-dioxane
CID 68342459
2-[6-[4-(Difluoromethyl)-3,5-difluorocyclohexyl]oxan-3-yl]-5-methyl-1,3-dioxane
CID 70829424
2-[[6-[Difluoro-(6-propyloxan-3-yl)methoxy]oxan-3-yl]-difluoromethoxy]-5-fluorooxane
CID 89850338
2-[6-(3,4-Difluorocyclohexyl)oxan-3-yl]-5-propyl-1,3-dioxane
CID 140524567
2-[6-Cyclohexyl-1,1,1-trifluoro-5-heptan-3-yloxy-5-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane
CID 163753123
2-[6-[4-[Difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]oxan-3-yl]-5-ethyl-1,3-dioxane
CID 178954162
6-[2,2,4,5,5,7,8,8-Octamethyl-7-[1-[4,4,4-trifluoro-2-methyl-3-(oxan-2-yloxy)-3-(trifluoromethyl)butoxy]ethyl]nonan-4-yl]-2,2-bis(trifluoromethyl)oxane
CID 142139370

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-1,1,1-trifluoro-6-(oxan-2-yloxy)heptan-2-yl]oxyoxane?
The IUPAC name of 2-[2-ethyl-1,1,1-trifluoro-6-(oxan-2-yloxy)heptan-2-yl]oxyoxane (CID 23405360) is 2-[2-ethyl-1,1,1-trifluoro-6-(oxan-2-yloxy)heptan-2-yl]oxyoxane.
What is the SMILES notation for 2-[2-ethyl-1,1,1-trifluoro-6-(oxan-2-yloxy)heptan-2-yl]oxyoxane?
The canonical SMILES for 2-[2-ethyl-1,1,1-trifluoro-6-(oxan-2-yloxy)heptan-2-yl]oxyoxane is CCC(CCCC(C)OC1CCCCO1)(OC1CCCCO1)C(F)(F)F.
What is the InChIKey of 2-[2-ethyl-1,1,1-trifluoro-6-(oxan-2-yloxy)heptan-2-yl]oxyoxane?
The InChIKey is WPWCSKQIFMHIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33F3O4/c1-3-18(19(20,21)22,26-17-11-5-7-14-24-17)12-8-9-15(2)25-16-10-4-6-13-23-16/h15-17H,3-14H2,1-2H3.
What are the key properties of 2-[2-ethyl-1,1,1-trifluoro-6-(oxan-2-yloxy)heptan-2-yl]oxyoxane?
2-[2-ethyl-1,1,1-trifluoro-6-(oxan-2-yloxy)heptan-2-yl]oxyoxane has a molecular weight of 382.46 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-1,1,1-trifluoro-6-(oxan-2-yloxy)heptan-2-yl]oxyoxane is sourced from PubChem (CID 23405360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).