4-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-2-yl]-1,1-dimethylcyclohexane

C18H20F16O2 — CID 170212356

IUPAC4-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-2-yl]-1,1-dimethylcyclohexane
SMILESCC1(C)CCC(C(COC(F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C18H20F16O2/c1-11(2)5-3-9(4-6-11)10(8-36-13(19,17(29,30)31)18(32,33)34)7-35-12(14(20,21)22,15(23,24)25)16(26,27)28/h9-10H,3-8H2,1-2H3
InChIKeyRGQBJOUVLUGOGZ-UHFFFAOYSA-N
MW572.32 g/mol
LogP8.07
Rot. Bonds7

About 4-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-2-yl]-1,1-dimethylcyclohexane

4-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-2-yl]-1,1-dimethylcyclohexane (PubChem CID 170212356) has the molecular formula C18H20F16O2 and a molecular weight of 572.32 g/mol. Its IUPAC name is 4-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-2-yl]-1,1-dimethylcyclohexane.

Molecular Properties

Compound Name4-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-2-yl]-1,1-dimethylcyclohexane
PubChem CID170212356
Molecular FormulaC18H20F16O2
Molecular Weight572.32 g/mol
Exact Mass572.12
IUPAC Name4-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-2-yl]-1,1-dimethylcyclohexane
SMILESCC1(C)CCC(C(COC(F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C18H20F16O2/c1-11(2)5-3-9(4-6-11)10(8-36-13(19,17(29,30)31)18(32,33)34)7-35-12(14(20,21)22,15(23,24)25)16(26,27)28/h9-10H,3-8H2,1-2H3
InChIKeyRGQBJOUVLUGOGZ-UHFFFAOYSA-N
XLogP8.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.32
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-2-yl]-1,1-dimethylcyclohexane with MolForge

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Launch Full Analysis

Related Compounds

1-[2-(2-Butan-2-yloxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)cyclohexane
CID 57806649
[2-(Butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 57806697
1-Butan-2-yl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-pentoxypropan-2-yl)cyclohexane
CID 58051840
[2-(2-Ethyl-3-hydroperoxy-2-methylbutoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 58823664
[1,1,1,3,3,3-Hexafluoro-2-(2-methylbutoxy)propan-2-yl]cyclohexane
CID 58969682
4-Cyclohexyl-3,3-dimethyl-2,2-bis(1,1,2,2,2-pentafluoroethyl)oxetane
CID 59672092
1,1,1,2,2,4,4,5,5-Nonafluoro-3,3,6,6-tetramethyl-8-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyoctane
CID 87199384
(2-Ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexane
CID 89363105
2-(3,3,4,4-Tetrafluoropentoxy)propan-2-ylcyclohexane
CID 89565500
[2-(Butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane
CID 90760835
1,1-Difluoro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane
CID 118217393
1-[1,1,1-Trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyethylcyclohexane
CID 118217404

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-2-yl]-1,1-dimethylcyclohexane?
The IUPAC name of 4-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-2-yl]-1,1-dimethylcyclohexane (CID 170212356) is 4-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-2-yl]-1,1-dimethylcyclohexane.
What is the SMILES notation for 4-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-2-yl]-1,1-dimethylcyclohexane?
The canonical SMILES for 4-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-2-yl]-1,1-dimethylcyclohexane is CC1(C)CCC(C(COC(F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 4-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-2-yl]-1,1-dimethylcyclohexane?
The InChIKey is RGQBJOUVLUGOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F16O2/c1-11(2)5-3-9(4-6-11)10(8-36-13(19,17(29,30)31)18(32,33)34)7-35-12(14(20,21)22,15(23,24)25)16(26,27)28/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-2-yl]-1,1-dimethylcyclohexane?
4-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-2-yl]-1,1-dimethylcyclohexane has a molecular weight of 572.32 g/mol, XLogP of 8.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-2-yl]-1,1-dimethylcyclohexane is sourced from PubChem (CID 170212356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).