[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane

C15H24F6O3 — CID 20743920

IUPAC[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane
SMILESCCCOCC(OCOCC1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H24F6O3/c1-2-8-22-10-13(14(16,17)18,15(19,20)21)24-11-23-9-12-6-4-3-5-7-12/h12H,2-11H2,1H3
InChIKeyJVPXODZUMFWGRK-UHFFFAOYSA-N
MW366.34 g/mol
LogP4.85
Rot. Bonds9

About [1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane

[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane (PubChem CID 20743920) has the molecular formula C15H24F6O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is [1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane.

Molecular Properties

Compound Name[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane
PubChem CID20743920
Molecular FormulaC15H24F6O3
Molecular Weight366.34 g/mol
Exact Mass366.16
IUPAC Name[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane
SMILESCCCOCC(OCOCC1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H24F6O3/c1-2-8-22-10-13(14(16,17)18,15(19,20)21)24-11-23-9-12-6-4-3-5-7-12/h12H,2-11H2,1H3
InChIKeyJVPXODZUMFWGRK-UHFFFAOYSA-N
XLogP4.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 54.85
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

4-[[Cyclohexyl(difluoro)methoxy]methyl]-2,2-dimethyl-1,3-dioxolane
CID 176426585
[1,1,1-Trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane
CID 20743930
1-[2-(2-Butan-2-yloxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane
CID 58781678
2,2,4,4,7-Pentafluoro-5-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)nonane
CID 59189159
3-(1,1-Difluoroethyl)-5-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclohexane
CID 60034435
1-[2-(1-Ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-hydroperoxycyclohexane
CID 89000378
1-[2-(2-Ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 89363110
Fluoroethane;fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane;(1-methylcyclopentyl)oxymethoxymethylcyclohexane
CID 90714600
Fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane
CID 91230957
1,1,2,2,3,3,4,4,5,5,6-Undecafluoro-6-(1-methoxyethoxymethyl)cyclohexane
CID 126571289
2-(4,4-Difluorocyclohexyl)-3-ethoxyoxirane
CID 148718017
1,2,2,5-Tetrafluoro-3-(2-methoxyethoxymethoxy)-3-(trifluoromethyl)heptane
CID 153499432

Frequently Asked Questions

What is the IUPAC name of [1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane?
The IUPAC name of [1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane (CID 20743920) is [1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane.
What is the SMILES notation for [1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane?
The canonical SMILES for [1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane is CCCOCC(OCOCC1CCCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane?
The InChIKey is JVPXODZUMFWGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F6O3/c1-2-8-22-10-13(14(16,17)18,15(19,20)21)24-11-23-9-12-6-4-3-5-7-12/h12H,2-11H2,1H3.
What are the key properties of [1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane?
[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane has a molecular weight of 366.34 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane is sourced from PubChem (CID 20743920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).