[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane

C16H26F6O2 — CID 20743930

IUPAC[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane
SMILESCCC(C)CC(OCOCC1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H26F6O2/c1-3-12(2)9-14(15(17,18)19,16(20,21)22)24-11-23-10-13-7-5-4-6-8-13/h12-13H,3-11H2,1-2H3
InChIKeyPSBKXRWURRAJFL-UHFFFAOYSA-N
MW364.37 g/mol
LogP5.86
Rot. Bonds8

About [1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane

[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane (PubChem CID 20743930) has the molecular formula C16H26F6O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is [1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane.

Molecular Properties

Compound Name[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane
PubChem CID20743930
Molecular FormulaC16H26F6O2
Molecular Weight364.37 g/mol
Exact Mass364.18
IUPAC Name[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane
SMILESCCC(C)CC(OCOCC1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H26F6O2/c1-3-12(2)9-14(15(17,18)19,16(20,21)22)24-11-23-10-13-7-5-4-6-8-13/h12-13H,3-11H2,1-2H3
InChIKeyPSBKXRWURRAJFL-UHFFFAOYSA-N
XLogP5.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.37
LogP ≤ 55.86
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'}

Analyze [1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1,1,1,3,3,3-Hexafluoro-2-(propoxymethyl)propan-2-yl]oxymethoxymethylcyclohexane
CID 20743920
3-(1,1-Difluoroethyl)-2,2,4-trifluoro-1-(methoxymethoxy)-5-methyl-1-(trifluoromethyl)cyclohexane
CID 20770040
4-(Ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane
CID 20781756
1-(1,1-Difluoroethyl)-1,2,2-trifluoro-3-(methoxymethoxy)-5-methyl-3-(trifluoromethyl)cyclohexane
CID 23597948
3-Ethyl-1,2,2-trifluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane
CID 57723670
1-(1,1-Difluoroethyl)-1-fluoro-3-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane
CID 57723676
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
1-(1,1-Difluoroethyl)-3-(ethoxymethoxy)-1,2,2-trifluoro-5-methyl-3-(trifluoromethyl)cyclohexane
CID 58721427
1-[(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)oxymethoxy]-2-propan-2-ylcyclohexane
CID 58761418
1-Butan-2-yl-3-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 58823492
1-Butan-2-yl-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 58823661

Frequently Asked Questions

What is the IUPAC name of [1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane?
The IUPAC name of [1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane (CID 20743930) is [1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane.
What is the SMILES notation for [1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane?
The canonical SMILES for [1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane is CCC(C)CC(OCOCC1CCCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane?
The InChIKey is PSBKXRWURRAJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F6O2/c1-3-12(2)9-14(15(17,18)19,16(20,21)22)24-11-23-10-13-7-5-4-6-8-13/h12-13H,3-11H2,1-2H3.
What are the key properties of [1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane?
[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane has a molecular weight of 364.37 g/mol, XLogP of 5.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane is sourced from PubChem (CID 20743930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).