4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexan-1-ol

C11H16F6O2 — CID 134374226

IUPAC4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexan-1-ol
SMILESCC(OCC1CCC(O)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6O2/c1-9(10(12,13)14,11(15,16)17)19-6-7-2-4-8(18)5-3-7/h7-8,18H,2-6H2,1H3
InChIKeyRVLDRTAFMVTFPD-UHFFFAOYSA-N
MW294.24 g/mol
LogP3.44
Rot. Bonds3

About 4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexan-1-ol

4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexan-1-ol (PubChem CID 134374226) has the molecular formula C11H16F6O2 and a molecular weight of 294.24 g/mol. Its IUPAC name is 4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexan-1-ol
PubChem CID134374226
Molecular FormulaC11H16F6O2
Molecular Weight294.24 g/mol
Exact Mass294.11
IUPAC Name4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexan-1-ol
SMILESCC(OCC1CCC(O)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6O2/c1-9(10(12,13)14,11(15,16)17)19-6-7-2-4-8(18)5-3-7/h7-8,18H,2-6H2,1H3
InChIKeyRVLDRTAFMVTFPD-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexan-1-ol?
The IUPAC name of 4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexan-1-ol (CID 134374226) is 4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexan-1-ol is CC(OCC1CCC(O)CC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexan-1-ol?
The InChIKey is RVLDRTAFMVTFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6O2/c1-9(10(12,13)14,11(15,16)17)19-6-7-2-4-8(18)5-3-7/h7-8,18H,2-6H2,1H3.
What are the key properties of 4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexan-1-ol?
4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexan-1-ol has a molecular weight of 294.24 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexan-1-ol is sourced from PubChem (CID 134374226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).