1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-methoxycyclohexane

C11H16F6O2 — CID 142016521

IUPAC1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-methoxycyclohexane
SMILESCOC1CCCCC1C(OC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6O2/c1-18-8-6-4-3-5-7(8)9(19-2,10(12,13)14)11(15,16)17/h7-8H,3-6H2,1-2H3
InChIKeyQJHAKQISGBJGRM-UHFFFAOYSA-N
MW294.24 g/mol
LogP3.70
Rot. Bonds3

About 1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-methoxycyclohexane

1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-methoxycyclohexane (PubChem CID 142016521) has the molecular formula C11H16F6O2 and a molecular weight of 294.24 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-methoxycyclohexane.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-methoxycyclohexane
PubChem CID142016521
Molecular FormulaC11H16F6O2
Molecular Weight294.24 g/mol
Exact Mass294.11
IUPAC Name1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-methoxycyclohexane
SMILESCOC1CCCCC1C(OC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6O2/c1-18-8-6-4-3-5-7(8)9(19-2,10(12,13)14)11(15,16)17/h7-8H,3-6H2,1-2H3
InChIKeyQJHAKQISGBJGRM-UHFFFAOYSA-N
XLogP3.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 53.70
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-methoxypropan-2-yl)-2-methoxycyclohexane?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-methoxycyclohexane (CID 142016521) is 1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-methoxycyclohexane.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-methoxycyclohexane?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-methoxycyclohexane is COC1CCCCC1C(OC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-methoxycyclohexane?
The InChIKey is QJHAKQISGBJGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6O2/c1-18-8-6-4-3-5-7(8)9(19-2,10(12,13)14)11(15,16)17/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-methoxycyclohexane?
1-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-2-methoxycyclohexane has a molecular weight of 294.24 g/mol, XLogP of 3.70, 3 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-methoxypropan-2-yl)-2-methoxycyclohexane is sourced from PubChem (CID 142016521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).