fluoroethane;fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane;(1-methylcyclopentyl)oxymethoxymethylcyclohexane

C34H63F9O5 — CID 90714600

IUPACfluoroethane;fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane;(1-methylcyclopentyl)oxymethoxymethylcyclohexane
SMILESCC1(OCOCC2CCCCC2)CCCC1.CCCOCC(OCOCC1CCCCC1)(C(F)(F)F)C(F)(F)F.CCF.CCF.CF
InChIInChI=1S/C15H24F6O3.C14H26O2.2C2H5F.CH3F/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;1-14(9-5-6-10-14)16-12-15-11-13-7-3-2-4-8-13;2*1-2-3;1-2/h12H,2-11H2,1H3;13H,2-12H2,1H3;2*2H2,1H3;1H3
InChIKeyZHKFQRDWUKEAFL-UHFFFAOYSA-N
MW722.85 g/mol
LogP11.27
Rot. Bonds14

About fluoroethane;fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane;(1-methylcyclopentyl)oxymethoxymethylcyclohexane

fluoroethane;fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane;(1-methylcyclopentyl)oxymethoxymethylcyclohexane (PubChem CID 90714600) has the molecular formula C34H63F9O5 and a molecular weight of 722.85 g/mol. Its IUPAC name is fluoroethane;fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane;(1-methylcyclopentyl)oxymethoxymethylcyclohexane.

Molecular Properties

Compound Namefluoroethane;fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane;(1-methylcyclopentyl)oxymethoxymethylcyclohexane
PubChem CID90714600
Molecular FormulaC34H63F9O5
Molecular Weight722.85 g/mol
Exact Mass722.45
IUPAC Namefluoroethane;fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane;(1-methylcyclopentyl)oxymethoxymethylcyclohexane
SMILESCC1(OCOCC2CCCCC2)CCCC1.CCCOCC(OCOCC1CCCCC1)(C(F)(F)F)C(F)(F)F.CCF.CCF.CF
InChIInChI=1S/C15H24F6O3.C14H26O2.2C2H5F.CH3F/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;1-14(9-5-6-10-14)16-12-15-11-13-7-3-2-4-8-13;2*1-2-3;1-2/h12H,2-11H2,1H3;13H,2-12H2,1H3;2*2H2,1H3;1H3
InChIKeyZHKFQRDWUKEAFL-UHFFFAOYSA-N
XLogP11.27
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.85
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze fluoroethane;fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane;(1-methylcyclopentyl)oxymethoxymethylcyclohexane with MolForge

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Related Compounds

1-[2-(Cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[1,1,1,3,3,3-hexafluoro-2-(2-propoxyethoxy)propan-2-yl]cyclohexane
CID 20743889
[1,1,1,3,3,3-Hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane
CID 20743920
Fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane
CID 91230957
1-[2-(Cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[1,1,1,3,3,3-hexafluoro-2-(2-propoxyethoxy)propan-2-yl]cyclohexane;fluoromethane
CID 91548015
2-(1,1-Difluoroethyl)-2,4-difluoro-3-methyl-4-propan-2-yloxane;2-(1,1-difluoroethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane;2-fluoro-2,3,3,5,5,6,6-heptamethyl-1,4-dioxane
CID 161649986

Frequently Asked Questions

What is the IUPAC name of fluoroethane;fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane;(1-methylcyclopentyl)oxymethoxymethylcyclohexane?
The IUPAC name of fluoroethane;fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane;(1-methylcyclopentyl)oxymethoxymethylcyclohexane (CID 90714600) is fluoroethane;fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane;(1-methylcyclopentyl)oxymethoxymethylcyclohexane.
What is the SMILES notation for fluoroethane;fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane;(1-methylcyclopentyl)oxymethoxymethylcyclohexane?
The canonical SMILES for fluoroethane;fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane;(1-methylcyclopentyl)oxymethoxymethylcyclohexane is CC1(OCOCC2CCCCC2)CCCC1.CCCOCC(OCOCC1CCCCC1)(C(F)(F)F)C(F)(F)F.CCF.CCF.CF.
What is the InChIKey of fluoroethane;fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane;(1-methylcyclopentyl)oxymethoxymethylcyclohexane?
The InChIKey is ZHKFQRDWUKEAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F6O3.C14H26O2.2C2H5F.CH3F/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;1-14(9-5-6-10-14)16-12-15-11-13-7-3-2-4-8-13;2*1-2-3;1-2/h12H,2-11H2,1H3;13H,2-12H2,1H3;2*2H2,1H3;1H3.
What are the key properties of fluoroethane;fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane;(1-methylcyclopentyl)oxymethoxymethylcyclohexane?
fluoroethane;fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane;(1-methylcyclopentyl)oxymethoxymethylcyclohexane has a molecular weight of 722.85 g/mol, XLogP of 11.27, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroethane;fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane;(1-methylcyclopentyl)oxymethoxymethylcyclohexane is sourced from PubChem (CID 90714600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).