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

C16H27F7O3 — CID 91230957

IUPACfluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane
SMILESCCCOCC(OCOCC1CCCCC1)(C(F)(F)F)C(F)(F)F.CF
InChIInChI=1S/C15H24F6O3.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;1-2/h12H,2-11H2,1H3;1H3
InChIKeyXXBXQDUXPIAWTL-UHFFFAOYSA-N
MW400.38 g/mol
LogP5.43
Rot. Bonds9

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

fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane (PubChem CID 91230957) has the molecular formula C16H27F7O3 and a molecular weight of 400.38 g/mol. Its IUPAC name is fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane.

Molecular Properties

Compound Namefluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane
PubChem CID91230957
Molecular FormulaC16H27F7O3
Molecular Weight400.38 g/mol
Exact Mass400.18
IUPAC Namefluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane
SMILESCCCOCC(OCOCC1CCCCC1)(C(F)(F)F)C(F)(F)F.CF
InChIInChI=1S/C15H24F6O3.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;1-2/h12H,2-11H2,1H3;1H3
InChIKeyXXBXQDUXPIAWTL-UHFFFAOYSA-N
XLogP5.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.38
LogP ≤ 55.43
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'}

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

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Related Compounds

[1,1,1,3,3,3-Hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane
CID 20743920
[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
3-(1,1-Difluoroethyl)-5-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclohexane
CID 60034435
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
1-(1,1,2,2,2-Pentafluoroethyl)-2-propan-2-yl-1-(1-propoxyethoxy)cyclohexane
CID 142139372
1,2,2,5-Tetrafluoro-3-(2-methoxyethoxymethoxy)-3-(trifluoromethyl)heptane
CID 153499432
(2S,4S,5S)-2-cyclohexyl-4-methyl-5-(trifluoromethyl)-1,3-dioxolane
CID 12142520
(2S,3R)-3-cyclohexyl-2-ethoxy-2-(1,1,2,2,2-pentafluoroethyl)oxirane
CID 15651931
3-(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-Tetratriacontafluoro-11-methoxyhenicosan-11-yl)-1,4-dioxaspiro[4.5]decane
CID 177561749

Frequently Asked Questions

What is the IUPAC name of fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane?
The IUPAC name of fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane (CID 91230957) is fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane.
What is the SMILES notation for fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane?
The canonical SMILES for fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane is CCCOCC(OCOCC1CCCCC1)(C(F)(F)F)C(F)(F)F.CF.
What is the InChIKey of fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane?
The InChIKey is XXBXQDUXPIAWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F6O3.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;1-2/h12H,2-11H2,1H3;1H3.
What are the key properties of fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane?
fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane has a molecular weight of 400.38 g/mol, XLogP of 5.43, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;[1,1,1,3,3,3-hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane is sourced from PubChem (CID 91230957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).