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

C18H27F9O2 — CID 21337536

IUPAC1-(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
SMILESCC(C)OC(C)(C1CCCC(C(OC(C)C)(C(F)(F)F)C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C18H27F9O2/c1-10(2)28-14(5,16(19,20)21)12-7-6-8-13(9-12)15(17(22,23)24,18(25,26)27)29-11(3)4/h10-13H,6-9H2,1-5H3
InChIKeyNYNCYASDMVNMAA-UHFFFAOYSA-N
MW446.39 g/mol
LogP6.83
Rot. Bonds6

About 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

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 (PubChem CID 21337536) has the molecular formula C18H27F9O2 and a molecular weight of 446.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID21337536
Molecular FormulaC18H27F9O2
Molecular Weight446.39 g/mol
Exact Mass446.19
IUPAC Name1-(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
SMILESCC(C)OC(C)(C1CCCC(C(OC(C)C)(C(F)(F)F)C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C18H27F9O2/c1-10(2)28-14(5,16(19,20)21)12-7-6-8-13(9-12)15(17(22,23)24,18(25,26)27)29-11(3)4/h10-13H,6-9H2,1-5H3
InChIKeyNYNCYASDMVNMAA-UHFFFAOYSA-N
XLogP6.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.39
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)OC(C)(C1CCCC(C(OC(C)C)(C(F)(F)F)C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is NYNCYASDMVNMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F9O2/c1-10(2)28-14(5,16(19,20)21)12-7-6-8-13(9-12)15(17(22,23)24,18(25,26)27)29-11(3)4/h10-13H,6-9H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 446.39 g/mol, XLogP of 6.83, 6 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-propan-2-yloxypropan-2-yl)-3-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)cyclohexane is sourced from PubChem (CID 21337536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).