1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propan-2-yloxycyclohexyl]propan-2-ol

C15H18F12O3 — CID 90334326

IUPAC1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propan-2-yloxycyclohexyl]propan-2-ol
SMILESCC(C)OC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C15H18F12O3/c1-6(2)30-9-4-7(10(28,12(16,17)18)13(19,20)21)3-8(5-9)11(29,14(22,23)24)15(25,26)27/h6-9,28-29H,3-5H2,1-2H3
InChIKeyJNLFVUFLQROFCX-UHFFFAOYSA-N
MW474.28 g/mol
LogP4.91
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propan-2-yloxycyclohexyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propan-2-yloxycyclohexyl]propan-2-ol (PubChem CID 90334326) has the molecular formula C15H18F12O3 and a molecular weight of 474.28 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propan-2-yloxycyclohexyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propan-2-yloxycyclohexyl]propan-2-ol
PubChem CID90334326
Molecular FormulaC15H18F12O3
Molecular Weight474.28 g/mol
Exact Mass474.11
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propan-2-yloxycyclohexyl]propan-2-ol
SMILESCC(C)OC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C15H18F12O3/c1-6(2)30-9-4-7(10(28,12(16,17)18)13(19,20)21)3-8(5-9)11(29,14(22,23)24)15(25,26)27/h6-9,28-29H,3-5H2,1-2H3
InChIKeyJNLFVUFLQROFCX-UHFFFAOYSA-N
XLogP4.91
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.28
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propan-2-yloxycyclohexyl]propan-2-ol with MolForge

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Related Compounds

2-[4-(2-Butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 21020792
1,1'-[5-(Vinyloxy)cyclohexane-1,3-diyl]bis[2,2,2-trifluoro-1-(trifluoromethyl)ethanol]
CID 21033006
2-[3-Butan-2-yl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 21053285
4-(1,1,1-Trifluoro-2-methoxypropan-2-yl)cyclohexan-1-ol
CID 21252674
1-(1,1,1,3,3,3-Hexafluoro-2-propan-2-yloxypropan-2-yl)-3-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)cyclohexane
CID 21337536
1,1,1,3,3,3-Hexafluoro-2-[3-(2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
CID 23570031
1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
CID 23570033
1,1,1-Trifluoro-2-[3-(2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
CID 23570044
1,1,1-Trifluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
CID 23570048
2-[3,5-Bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 23570066
2-[3,5-Bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1-trifluoropropan-2-ol
CID 23570067
2-[3-Butan-2-yloxy-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 23597946

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propan-2-yloxycyclohexyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propan-2-yloxycyclohexyl]propan-2-ol (CID 90334326) is 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propan-2-yloxycyclohexyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propan-2-yloxycyclohexyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propan-2-yloxycyclohexyl]propan-2-ol is CC(C)OC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propan-2-yloxycyclohexyl]propan-2-ol?
The InChIKey is JNLFVUFLQROFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F12O3/c1-6(2)30-9-4-7(10(28,12(16,17)18)13(19,20)21)3-8(5-9)11(29,14(22,23)24)15(25,26)27/h6-9,28-29H,3-5H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propan-2-yloxycyclohexyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propan-2-yloxycyclohexyl]propan-2-ol has a molecular weight of 474.28 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propan-2-yloxycyclohexyl]propan-2-ol is sourced from PubChem (CID 90334326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).