4-[2-[4-[4,4-bis(trifluoromethyl)oxetan-2-yl]oxycyclohexyl]propan-2-yl]cyclohexan-1-ol

C20H30F6O3 — CID 89385994

IUPAC4-[2-[4-[4,4-bis(trifluoromethyl)oxetan-2-yl]oxycyclohexyl]propan-2-yl]cyclohexan-1-ol
SMILESCC(C)(C1CCC(O)CC1)C1CCC(OC2CC(C(F)(F)F)(C(F)(F)F)O2)CC1
InChIInChI=1S/C20H30F6O3/c1-17(2,12-3-7-14(27)8-4-12)13-5-9-15(10-6-13)28-16-11-18(29-16,19(21,22)23)20(24,25)26/h12-16,27H,3-11H2,1-2H3
InChIKeyJUEFLGKEKOGLCD-UHFFFAOYSA-N
MW432.45 g/mol
LogP5.75
Rot. Bonds4

About 4-[2-[4-[4,4-bis(trifluoromethyl)oxetan-2-yl]oxycyclohexyl]propan-2-yl]cyclohexan-1-ol

4-[2-[4-[4,4-bis(trifluoromethyl)oxetan-2-yl]oxycyclohexyl]propan-2-yl]cyclohexan-1-ol (PubChem CID 89385994) has the molecular formula C20H30F6O3 and a molecular weight of 432.45 g/mol. Its IUPAC name is 4-[2-[4-[4,4-bis(trifluoromethyl)oxetan-2-yl]oxycyclohexyl]propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[4-[4,4-bis(trifluoromethyl)oxetan-2-yl]oxycyclohexyl]propan-2-yl]cyclohexan-1-ol
PubChem CID89385994
Molecular FormulaC20H30F6O3
Molecular Weight432.45 g/mol
Exact Mass432.21
IUPAC Name4-[2-[4-[4,4-bis(trifluoromethyl)oxetan-2-yl]oxycyclohexyl]propan-2-yl]cyclohexan-1-ol
SMILESCC(C)(C1CCC(O)CC1)C1CCC(OC2CC(C(F)(F)F)(C(F)(F)F)O2)CC1
InChIInChI=1S/C20H30F6O3/c1-17(2,12-3-7-14(27)8-4-12)13-5-9-15(10-6-13)28-16-11-18(29-16,19(21,22)23)20(24,25)26/h12-16,27H,3-11H2,1-2H3
InChIKeyJUEFLGKEKOGLCD-UHFFFAOYSA-N
XLogP5.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.45
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-[4-[4,4-bis(trifluoromethyl)oxetan-2-yl]oxycyclohexyl]propan-2-yl]cyclohexan-1-ol with MolForge

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Related Compounds

4-(4-tert-butylcyclohexyl)oxycyclohexan-1-ol
CID 102283442
4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol
CID 70671036
4-[2-[4-[1-[4-[1-[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]oxyethoxy]cyclohexyl]oxyethoxy]cyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 140509318
4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 89323282
methane;4-(2-methoxypropan-2-yl)cyclohexan-1-ol;2-[4-(2-methoxypropan-2-yl)cyclohexyl]oxyoxane
CID 162219430
4-(2-cyclohexylpropan-2-yl)cyclohexan-1-ol
CID 19694020
[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl] 2-methylpropanoate
CID 150017281
4-fluoro-2,2-bis(trifluoromethyl)oxetane
CID 14144890
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
4-(trifluoromethyl)cyclohexan-1-ol
CID 129011106
4-(trifluoromethoxy)cyclohexan-1-ol
CID 137347053
4-(2-cyclohexyloxypropan-2-yl)cyclohexan-1-ol
CID 163964872

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4,4-bis(trifluoromethyl)oxetan-2-yl]oxycyclohexyl]propan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[2-[4-[4,4-bis(trifluoromethyl)oxetan-2-yl]oxycyclohexyl]propan-2-yl]cyclohexan-1-ol (CID 89385994) is 4-[2-[4-[4,4-bis(trifluoromethyl)oxetan-2-yl]oxycyclohexyl]propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-[4-[4,4-bis(trifluoromethyl)oxetan-2-yl]oxycyclohexyl]propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-[4-[4,4-bis(trifluoromethyl)oxetan-2-yl]oxycyclohexyl]propan-2-yl]cyclohexan-1-ol is CC(C)(C1CCC(O)CC1)C1CCC(OC2CC(C(F)(F)F)(C(F)(F)F)O2)CC1.
What is the InChIKey of 4-[2-[4-[4,4-bis(trifluoromethyl)oxetan-2-yl]oxycyclohexyl]propan-2-yl]cyclohexan-1-ol?
The InChIKey is JUEFLGKEKOGLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F6O3/c1-17(2,12-3-7-14(27)8-4-12)13-5-9-15(10-6-13)28-16-11-18(29-16,19(21,22)23)20(24,25)26/h12-16,27H,3-11H2,1-2H3.
What are the key properties of 4-[2-[4-[4,4-bis(trifluoromethyl)oxetan-2-yl]oxycyclohexyl]propan-2-yl]cyclohexan-1-ol?
4-[2-[4-[4,4-bis(trifluoromethyl)oxetan-2-yl]oxycyclohexyl]propan-2-yl]cyclohexan-1-ol has a molecular weight of 432.45 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4,4-bis(trifluoromethyl)oxetan-2-yl]oxycyclohexyl]propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 89385994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).