1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]oxycyclohexane

C20H26F12O — CID 122695112

IUPAC1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]oxycyclohexane
SMILESCC(C1CCC(OC2CCC(C(C)(C(F)(F)F)C(F)(F)F)CC2)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H26F12O/c1-15(17(21,22)23,18(24,25)26)11-3-7-13(8-4-11)33-14-9-5-12(6-10-14)16(2,19(27,28)29)20(30,31)32/h11-14H,3-10H2,1-2H3
InChIKeyHFBBRXVKPSTECY-UHFFFAOYSA-N
MW510.40 g/mol
LogP8.38
Rot. Bonds4

About 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]oxycyclohexane

1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]oxycyclohexane (PubChem CID 122695112) has the molecular formula C20H26F12O and a molecular weight of 510.40 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]oxycyclohexane.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]oxycyclohexane
PubChem CID122695112
Molecular FormulaC20H26F12O
Molecular Weight510.40 g/mol
Exact Mass510.18
IUPAC Name1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]oxycyclohexane
SMILESCC(C1CCC(OC2CCC(C(C)(C(F)(F)F)C(F)(F)F)CC2)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H26F12O/c1-15(17(21,22)23,18(24,25)26)11-3-7-13(8-4-11)33-14-9-5-12(6-10-14)16(2,19(27,28)29)20(30,31)32/h11-14H,3-10H2,1-2H3
InChIKeyHFBBRXVKPSTECY-UHFFFAOYSA-N
XLogP8.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.40
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]oxycyclohexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]oxycyclohexane?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]oxycyclohexane (CID 122695112) is 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]oxycyclohexane.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]oxycyclohexane?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]oxycyclohexane is CC(C1CCC(OC2CCC(C(C)(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-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]oxycyclohexane?
The InChIKey is HFBBRXVKPSTECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F12O/c1-15(17(21,22)23,18(24,25)26)11-3-7-13(8-4-11)33-14-9-5-12(6-10-14)16(2,19(27,28)29)20(30,31)32/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]oxycyclohexane?
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]oxycyclohexane has a molecular weight of 510.40 g/mol, XLogP of 8.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]oxycyclohexane is sourced from PubChem (CID 122695112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).