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

C25H42F6O2 — CID 59716092

IUPAC1-[1,1,1,3,3,3-hexafluoro-2-[4-(2-methylbutoxy)cyclohexyl]propan-2-yl]-4-(2-methylbutoxy)cyclohexane
SMILESCCC(C)COC1CCC(C(C2CCC(OCC(C)CC)CC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C25H42F6O2/c1-5-17(3)15-32-21-11-7-19(8-12-21)23(24(26,27)28,25(29,30)31)20-9-13-22(14-10-20)33-16-18(4)6-2/h17-22H,5-16H2,1-4H3
InChIKeyIAVROOZOQHNPLN-UHFFFAOYSA-N
MW488.60 g/mol
LogP8.34
Rot. Bonds10

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

1-[1,1,1,3,3,3-hexafluoro-2-[4-(2-methylbutoxy)cyclohexyl]propan-2-yl]-4-(2-methylbutoxy)cyclohexane (PubChem CID 59716092) has the molecular formula C25H42F6O2 and a molecular weight of 488.60 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-[4-(2-methylbutoxy)cyclohexyl]propan-2-yl]-4-(2-methylbutoxy)cyclohexane.

Molecular Properties

Compound Name1-[1,1,1,3,3,3-hexafluoro-2-[4-(2-methylbutoxy)cyclohexyl]propan-2-yl]-4-(2-methylbutoxy)cyclohexane
PubChem CID59716092
Molecular FormulaC25H42F6O2
Molecular Weight488.60 g/mol
Exact Mass488.31
IUPAC Name1-[1,1,1,3,3,3-hexafluoro-2-[4-(2-methylbutoxy)cyclohexyl]propan-2-yl]-4-(2-methylbutoxy)cyclohexane
SMILESCCC(C)COC1CCC(C(C2CCC(OCC(C)CC)CC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C25H42F6O2/c1-5-17(3)15-32-21-11-7-19(8-12-21)23(24(26,27)28,25(29,30)31)20-9-13-22(14-10-20)33-16-18(4)6-2/h17-22H,5-16H2,1-4H3
InChIKeyIAVROOZOQHNPLN-UHFFFAOYSA-N
XLogP8.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.60
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-[4-(2-methylbutoxy)cyclohexyl]propan-2-yl]-4-(2-methylbutoxy)cyclohexane?
The IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-[4-(2-methylbutoxy)cyclohexyl]propan-2-yl]-4-(2-methylbutoxy)cyclohexane (CID 59716092) is 1-[1,1,1,3,3,3-hexafluoro-2-[4-(2-methylbutoxy)cyclohexyl]propan-2-yl]-4-(2-methylbutoxy)cyclohexane.
What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-[4-(2-methylbutoxy)cyclohexyl]propan-2-yl]-4-(2-methylbutoxy)cyclohexane?
The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-[4-(2-methylbutoxy)cyclohexyl]propan-2-yl]-4-(2-methylbutoxy)cyclohexane is CCC(C)COC1CCC(C(C2CCC(OCC(C)CC)CC2)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1-[1,1,1,3,3,3-hexafluoro-2-[4-(2-methylbutoxy)cyclohexyl]propan-2-yl]-4-(2-methylbutoxy)cyclohexane?
The InChIKey is IAVROOZOQHNPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42F6O2/c1-5-17(3)15-32-21-11-7-19(8-12-21)23(24(26,27)28,25(29,30)31)20-9-13-22(14-10-20)33-16-18(4)6-2/h17-22H,5-16H2,1-4H3.
What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-[4-(2-methylbutoxy)cyclohexyl]propan-2-yl]-4-(2-methylbutoxy)cyclohexane?
1-[1,1,1,3,3,3-hexafluoro-2-[4-(2-methylbutoxy)cyclohexyl]propan-2-yl]-4-(2-methylbutoxy)cyclohexane has a molecular weight of 488.60 g/mol, XLogP of 8.34, 10 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-[4-(2-methylbutoxy)cyclohexyl]propan-2-yl]-4-(2-methylbutoxy)cyclohexane is sourced from PubChem (CID 59716092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).