2-[3,5-bis(2-hydroxypropan-2-yl)cyclohexyl]-1,1,1-trifluoropropan-2-ol

C15H27F3O3 — CID 23570063

IUPAC2-[3,5-bis(2-hydroxypropan-2-yl)cyclohexyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(O)C1CC(C(C)(C)O)CC(C(C)(O)C(F)(F)F)C1
InChIInChI=1S/C15H27F3O3/c1-12(2,19)9-6-10(13(3,4)20)8-11(7-9)14(5,21)15(16,17)18/h9-11,19-21H,6-8H2,1-5H3
InChIKeyDRYOORXATKWTBC-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.87
Rot. Bonds3

About 2-[3,5-bis(2-hydroxypropan-2-yl)cyclohexyl]-1,1,1-trifluoropropan-2-ol

2-[3,5-bis(2-hydroxypropan-2-yl)cyclohexyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 23570063) has the molecular formula C15H27F3O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[3,5-bis(2-hydroxypropan-2-yl)cyclohexyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[3,5-bis(2-hydroxypropan-2-yl)cyclohexyl]-1,1,1-trifluoropropan-2-ol
PubChem CID23570063
Molecular FormulaC15H27F3O3
Molecular Weight312.37 g/mol
Exact Mass312.19
IUPAC Name2-[3,5-bis(2-hydroxypropan-2-yl)cyclohexyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(O)C1CC(C(C)(C)O)CC(C(C)(O)C(F)(F)F)C1
InChIInChI=1S/C15H27F3O3/c1-12(2,19)9-6-10(13(3,4)20)8-11(7-9)14(5,21)15(16,17)18/h9-11,19-21H,6-8H2,1-5H3
InChIKeyDRYOORXATKWTBC-UHFFFAOYSA-N
XLogP2.87
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(2-hydroxypropan-2-yl)cyclohexyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[3,5-bis(2-hydroxypropan-2-yl)cyclohexyl]-1,1,1-trifluoropropan-2-ol (CID 23570063) is 2-[3,5-bis(2-hydroxypropan-2-yl)cyclohexyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[3,5-bis(2-hydroxypropan-2-yl)cyclohexyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[3,5-bis(2-hydroxypropan-2-yl)cyclohexyl]-1,1,1-trifluoropropan-2-ol is CC(C)(O)C1CC(C(C)(C)O)CC(C(C)(O)C(F)(F)F)C1.
What is the InChIKey of 2-[3,5-bis(2-hydroxypropan-2-yl)cyclohexyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is DRYOORXATKWTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3O3/c1-12(2,19)9-6-10(13(3,4)20)8-11(7-9)14(5,21)15(16,17)18/h9-11,19-21H,6-8H2,1-5H3.
What are the key properties of 2-[3,5-bis(2-hydroxypropan-2-yl)cyclohexyl]-1,1,1-trifluoropropan-2-ol?
2-[3,5-bis(2-hydroxypropan-2-yl)cyclohexyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 312.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(2-hydroxypropan-2-yl)cyclohexyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 23570063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).