2,2,4,4,7-pentafluoro-5-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)nonane

C14H22F8O3 — CID 59189159

IUPAC2,2,4,4,7-pentafluoro-5-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)nonane
SMILESCCC(F)CC(OCOCCOC)(C(F)(F)F)C(F)(F)CC(C)(F)F
InChIInChI=1S/C14H22F8O3/c1-4-10(15)7-12(14(20,21)22,25-9-24-6-5-23-3)13(18,19)8-11(2,16)17/h10H,4-9H2,1-3H3
InChIKeyWZIQTWJHFBSCDN-UHFFFAOYSA-N
MW390.31 g/mol
LogP4.74
Rot. Bonds12

About 2,2,4,4,7-pentafluoro-5-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)nonane

2,2,4,4,7-pentafluoro-5-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)nonane (PubChem CID 59189159) has the molecular formula C14H22F8O3 and a molecular weight of 390.31 g/mol. Its IUPAC name is 2,2,4,4,7-pentafluoro-5-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)nonane.

Molecular Properties

Compound Name2,2,4,4,7-pentafluoro-5-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)nonane
PubChem CID59189159
Molecular FormulaC14H22F8O3
Molecular Weight390.31 g/mol
Exact Mass390.14
IUPAC Name2,2,4,4,7-pentafluoro-5-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)nonane
SMILESCCC(F)CC(OCOCCOC)(C(F)(F)F)C(F)(F)CC(C)(F)F
InChIInChI=1S/C14H22F8O3/c1-4-10(15)7-12(14(20,21)22,25-9-24-6-5-23-3)13(18,19)8-11(2,16)17/h10H,4-9H2,1-3H3
InChIKeyWZIQTWJHFBSCDN-UHFFFAOYSA-N
XLogP4.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[1,1,1,3,3,3-Hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane
CID 20743920
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-(Ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane
CID 20781756
1,1,1-Trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane
CID 58205898
Methyl [3,6,6-trifluoro-5-(trifluoromethyl)nonan-5-yl] carbonate
CID 58841686
4-Ethyl-2,2,3,4-tetrafluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane
CID 59482649
1,1,1-Trifluoro-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane
CID 118052177
1,2,2,5-Tetrafluoro-3-(2-methoxyethoxymethoxy)-3-(trifluoromethyl)heptane
CID 153499432
Fluoroethane;methane;1,2,2,5-tetrafluoro-3-(2-methoxyethoxymethoxy)-3-(trifluoromethyl)heptane;1,2,2,5-tetrafluoro-3-(trifluoromethyl)heptan-3-ol
CID 161542487

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,7-pentafluoro-5-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)nonane?
The IUPAC name of 2,2,4,4,7-pentafluoro-5-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)nonane (CID 59189159) is 2,2,4,4,7-pentafluoro-5-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)nonane.
What is the SMILES notation for 2,2,4,4,7-pentafluoro-5-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)nonane?
The canonical SMILES for 2,2,4,4,7-pentafluoro-5-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)nonane is CCC(F)CC(OCOCCOC)(C(F)(F)F)C(F)(F)CC(C)(F)F.
What is the InChIKey of 2,2,4,4,7-pentafluoro-5-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)nonane?
The InChIKey is WZIQTWJHFBSCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F8O3/c1-4-10(15)7-12(14(20,21)22,25-9-24-6-5-23-3)13(18,19)8-11(2,16)17/h10H,4-9H2,1-3H3.
What are the key properties of 2,2,4,4,7-pentafluoro-5-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)nonane?
2,2,4,4,7-pentafluoro-5-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)nonane has a molecular weight of 390.31 g/mol, XLogP of 4.74, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,7-pentafluoro-5-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)nonane is sourced from PubChem (CID 59189159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).