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

C23H32F12O3 — CID 20743891

IUPAC1-[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
SMILESCC(C)OC(C1CCC(C(OCOCC2CCCCC2)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C23H32F12O3/c1-14(2)38-19(22(30,31)32,23(33,34)35)17-10-8-16(9-11-17)18(20(24,25)26,21(27,28)29)37-13-36-12-15-6-4-3-5-7-15/h14-17H,3-13H2,1-2H3
InChIKeyVQYKZUCXTSVYJD-UHFFFAOYSA-N
MW584.48 g/mol
LogP8.52
Rot. Bonds9

About 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

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 (PubChem CID 20743891) has the molecular formula C23H32F12O3 and a molecular weight of 584.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID20743891
Molecular FormulaC23H32F12O3
Molecular Weight584.48 g/mol
Exact Mass584.22
IUPAC Name1-[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
SMILESCC(C)OC(C1CCC(C(OCOCC2CCCCC2)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C23H32F12O3/c1-14(2)38-19(22(30,31)32,23(33,34)35)17-10-8-16(9-11-17)18(20(24,25)26,21(27,28)29)37-13-36-12-15-6-4-3-5-7-15/h14-17H,3-13H2,1-2H3
InChIKeyVQYKZUCXTSVYJD-UHFFFAOYSA-N
XLogP8.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.48
LogP ≤ 58.52
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 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 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-butan-2-yl-4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane
CID 58840386
5-(cyclohexylmethoxy)-N-methylpentan-2-amine
CID 62382044
3-(cyclohexylmethoxy)-N-propan-2-ylpropan-1-amine
CID 62343201
2-(cyclooctylmethoxy)ethyl-tri(propan-2-yl)silane
CID 70179025
ethoxymethylcyclooctane
CID 70370569
cyclohexylmethoxymethylsilane
CID 71346354
2-methoxyethoxymethylcyclooctane
CID 3020404
6-(cyclohexylmethoxy)hexan-2-amine
CID 62382043
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
2-(cyclohexylmethoxymethyl)-3,3,3-trifluoropropan-1-amine
CID 103366795
3-methylbutoxymethylcyclobutane
CID 66602657

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)OC(C1CCC(C(OCOCC2CCCCC2)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is VQYKZUCXTSVYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F12O3/c1-14(2)38-19(22(30,31)32,23(33,34)35)17-10-8-16(9-11-17)18(20(24,25)26,21(27,28)29)37-13-36-12-15-6-4-3-5-7-15/h14-17H,3-13H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 584.48 g/mol, XLogP of 8.52, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 20743891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).