4-(ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane

C13H20F8O2 — CID 20781756

IUPAC4-(ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane
SMILESCCOCOC(CC(C)CF)(C(F)(F)F)C(F)(F)CC(C)(F)F
InChIInChI=1S/C13H20F8O2/c1-4-22-8-23-11(13(19,20)21,5-9(2)6-14)12(17,18)7-10(3,15)16/h9H,4-8H2,1-3H3
InChIKeyCCCAZWNQUFJRQN-UHFFFAOYSA-N
MW360.29 g/mol
LogP4.97
Rot. Bonds10

About 4-(ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane

4-(ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane (PubChem CID 20781756) has the molecular formula C13H20F8O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is 4-(ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane.

Molecular Properties

Compound Name4-(ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane
PubChem CID20781756
Molecular FormulaC13H20F8O2
Molecular Weight360.29 g/mol
Exact Mass360.13
IUPAC Name4-(ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane
SMILESCCOCOC(CC(C)CF)(C(F)(F)F)C(F)(F)CC(C)(F)F
InChIInChI=1S/C13H20F8O2/c1-4-22-8-23-11(13(19,20)21,5-9(2)6-14)12(17,18)7-10(3,15)16/h9H,4-8H2,1-3H3
InChIKeyCCCAZWNQUFJRQN-UHFFFAOYSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(6R)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane
CID 90239071
[1,1,1-Trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane
CID 20743930
2-(1-Ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane
CID 20756273
2,2,4,4,7-Pentafluoro-5-(methoxymethoxy)-5-(trifluoromethyl)nonane
CID 20764965
1,5,5,7,7-Pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane
CID 20781750
4,6-Bis(ethoxymethoxy)-5,5-difluoro-3,7-dimethyl-4,6-bis(trifluoromethyl)nonane
CID 57603588
3-Ethyl-1,2,2-trifluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane
CID 57723670
1-Ethyl-3-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclopentane
CID 57723671
1-(1,1-Difluoroethyl)-1-fluoro-3-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane
CID 57723676
1,1,1-Trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane
CID 58205898
1-(1,1-Difluoroethyl)-3-(ethoxymethoxy)-5-ethyl-1,2,2-trifluoro-3-(trifluoromethyl)cyclohexane
CID 58587389
3-Ethyl-1-fluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane
CID 58657618

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane?
The IUPAC name of 4-(ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane (CID 20781756) is 4-(ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane.
What is the SMILES notation for 4-(ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane?
The canonical SMILES for 4-(ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane is CCOCOC(CC(C)CF)(C(F)(F)F)C(F)(F)CC(C)(F)F.
What is the InChIKey of 4-(ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane?
The InChIKey is CCCAZWNQUFJRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F8O2/c1-4-22-8-23-11(13(19,20)21,5-9(2)6-14)12(17,18)7-10(3,15)16/h9H,4-8H2,1-3H3.
What are the key properties of 4-(ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane?
4-(ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane has a molecular weight of 360.29 g/mol, XLogP of 4.97, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane is sourced from PubChem (CID 20781756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).