1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethoxy]-2-propan-2-ylcyclohexane

C14H22F6O2 — CID 58761418

IUPAC1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethoxy]-2-propan-2-ylcyclohexane
SMILESCC(C)C1CCCCC1OCOC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H22F6O2/c1-9(2)10-6-4-5-7-11(10)21-8-22-12(3,13(15,16)17)14(18,19)20/h9-11H,4-8H2,1-3H3
InChIKeyAISPLWIKBMVZGL-UHFFFAOYSA-N
MW336.32 g/mol
LogP5.08
Rot. Bonds5

About 1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethoxy]-2-propan-2-ylcyclohexane

1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethoxy]-2-propan-2-ylcyclohexane (PubChem CID 58761418) has the molecular formula C14H22F6O2 and a molecular weight of 336.32 g/mol. Its IUPAC name is 1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethoxy]-2-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethoxy]-2-propan-2-ylcyclohexane
PubChem CID58761418
Molecular FormulaC14H22F6O2
Molecular Weight336.32 g/mol
Exact Mass336.15
IUPAC Name1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethoxy]-2-propan-2-ylcyclohexane
SMILESCC(C)C1CCCCC1OCOC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H22F6O2/c1-9(2)10-6-4-5-7-11(10)21-8-22-12(3,13(15,16)17)14(18,19)20/h9-11H,4-8H2,1-3H3
InChIKeyAISPLWIKBMVZGL-UHFFFAOYSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.32
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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-propan-2-yloxypropan-2-yl)cyclohexane
CID 20743891
1-Butan-2-yl-4-[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 20743893
[1,1,1-Trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane
CID 20743930
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
2-[(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)oxymethoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 57806665
4-Methyl-1-propan-2-yl-2-[(1,1,1-trifluoro-2,4-dimethylhexan-2-yl)oxymethoxy]cyclohexane
CID 58205810
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

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethoxy]-2-propan-2-ylcyclohexane?
The IUPAC name of 1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethoxy]-2-propan-2-ylcyclohexane (CID 58761418) is 1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethoxy]-2-propan-2-ylcyclohexane.
What is the SMILES notation for 1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethoxy]-2-propan-2-ylcyclohexane?
The canonical SMILES for 1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethoxy]-2-propan-2-ylcyclohexane is CC(C)C1CCCCC1OCOC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethoxy]-2-propan-2-ylcyclohexane?
The InChIKey is AISPLWIKBMVZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F6O2/c1-9(2)10-6-4-5-7-11(10)21-8-22-12(3,13(15,16)17)14(18,19)20/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethoxy]-2-propan-2-ylcyclohexane?
1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethoxy]-2-propan-2-ylcyclohexane has a molecular weight of 336.32 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethoxy]-2-propan-2-ylcyclohexane is sourced from PubChem (CID 58761418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).