(2,2,5,5-tetramethyloxolan-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanol

C15H20F3NO2 — CID 105132059

IUPAC(2,2,5,5-tetramethyloxolan-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanol
SMILESCC1(C)CC(C(O)c2ccc(C(F)(F)F)cn2)C(C)(C)O1
InChIInChI=1S/C15H20F3NO2/c1-13(2)7-10(14(3,4)21-13)12(20)11-6-5-9(8-19-11)15(16,17)18/h5-6,8,10,12,20H,7H2,1-4H3
InChIKeyRQVXAEKKPCMPSJ-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.73
Rot. Bonds2

About (2,2,5,5-tetramethyloxolan-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanol

(2,2,5,5-tetramethyloxolan-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 105132059) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is (2,2,5,5-tetramethyloxolan-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name(2,2,5,5-tetramethyloxolan-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID105132059
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name(2,2,5,5-tetramethyloxolan-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanol
SMILESCC1(C)CC(C(O)c2ccc(C(F)(F)F)cn2)C(C)(C)O1
InChIInChI=1S/C15H20F3NO2/c1-13(2)7-10(14(3,4)21-13)12(20)11-6-5-9(8-19-11)15(16,17)18/h5-6,8,10,12,20H,7H2,1-4H3
InChIKeyRQVXAEKKPCMPSJ-UHFFFAOYSA-N
XLogP3.73
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2,5,5-tetramethyloxolan-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of (2,2,5,5-tetramethyloxolan-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanol (CID 105132059) is (2,2,5,5-tetramethyloxolan-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for (2,2,5,5-tetramethyloxolan-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for (2,2,5,5-tetramethyloxolan-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanol is CC1(C)CC(C(O)c2ccc(C(F)(F)F)cn2)C(C)(C)O1.
What is the InChIKey of (2,2,5,5-tetramethyloxolan-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is RQVXAEKKPCMPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-13(2)7-10(14(3,4)21-13)12(20)11-6-5-9(8-19-11)15(16,17)18/h5-6,8,10,12,20H,7H2,1-4H3.
What are the key properties of (2,2,5,5-tetramethyloxolan-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanol?
(2,2,5,5-tetramethyloxolan-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 303.32 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,5,5-tetramethyloxolan-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 105132059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).