1-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexane

C25H36F12O4 — CID 58957748

IUPAC1-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexane
SMILESCOCOC(C1CCC(C(C)(C)C2CCC(C(OCOC)(C(F)(F)F)C(F)(F)F)CC2)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C25H36F12O4/c1-19(2,15-5-9-17(10-6-15)20(22(26,27)28,23(29,30)31)40-13-38-3)16-7-11-18(12-8-16)21(24(32,33)34,25(35,36)37)41-14-39-4/h15-18H,5-14H2,1-4H3
InChIKeyQXRFRLMLWRTBBQ-UHFFFAOYSA-N
MW628.54 g/mol
LogP8.59
Rot. Bonds10

About 1-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexane

1-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexane (PubChem CID 58957748) has the molecular formula C25H36F12O4 and a molecular weight of 628.54 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexane.

Molecular Properties

Compound Name1-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexane
PubChem CID58957748
Molecular FormulaC25H36F12O4
Molecular Weight628.54 g/mol
Exact Mass628.24
IUPAC Name1-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexane
SMILESCOCOC(C1CCC(C(C)(C)C2CCC(C(OCOC)(C(F)(F)F)C(F)(F)F)CC2)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C25H36F12O4/c1-19(2,15-5-9-17(10-6-15)20(22(26,27)28,23(29,30)31)40-13-38-3)16-7-11-18(12-8-16)21(24(32,33)34,25(35,36)37)41-14-39-4/h15-18H,5-14H2,1-4H3
InChIKeyQXRFRLMLWRTBBQ-UHFFFAOYSA-N
XLogP8.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.54
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexane?
The IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexane (CID 58957748) is 1-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexane.
What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexane?
The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexane is COCOC(C1CCC(C(C)(C)C2CCC(C(OCOC)(C(F)(F)F)C(F)(F)F)CC2)CC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexane?
The InChIKey is QXRFRLMLWRTBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36F12O4/c1-19(2,15-5-9-17(10-6-15)20(22(26,27)28,23(29,30)31)40-13-38-3)16-7-11-18(12-8-16)21(24(32,33)34,25(35,36)37)41-14-39-4/h15-18H,5-14H2,1-4H3.
What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexane?
1-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexane has a molecular weight of 628.54 g/mol, XLogP of 8.59, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexane is sourced from PubChem (CID 58957748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).