3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol

C12H15F9O3 — CID 58720460

IUPAC3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol
SMILESCC(O)(C1CC(O)CC(C(O)(C(F)(F)F)C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C12H15F9O3/c1-8(23,10(13,14)15)5-2-6(4-7(22)3-5)9(24,11(16,17)18)12(19,20)21/h5-7,22-24H,2-4H2,1H3
InChIKeyMYWXFMCSCXNMLM-UHFFFAOYSA-N
MW378.23 g/mol
LogP2.93
Rot. Bonds2

About 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol

3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol (PubChem CID 58720460) has the molecular formula C12H15F9O3 and a molecular weight of 378.23 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol
PubChem CID58720460
Molecular FormulaC12H15F9O3
Molecular Weight378.23 g/mol
Exact Mass378.09
IUPAC Name3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol
SMILESCC(O)(C1CC(O)CC(C(O)(C(F)(F)F)C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C12H15F9O3/c1-8(23,10(13,14)15)5-2-6(4-7(22)3-5)9(24,11(16,17)18)12(19,20)21/h5-7,22-24H,2-4H2,1H3
InChIKeyMYWXFMCSCXNMLM-UHFFFAOYSA-N
XLogP2.93
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol (CID 58720460) is 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol is CC(O)(C1CC(O)CC(C(O)(C(F)(F)F)C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol?
The InChIKey is MYWXFMCSCXNMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F9O3/c1-8(23,10(13,14)15)5-2-6(4-7(22)3-5)9(24,11(16,17)18)12(19,20)21/h5-7,22-24H,2-4H2,1H3.
What are the key properties of 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol?
3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol has a molecular weight of 378.23 g/mol, XLogP of 2.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 58720460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).