2,2,2-trifluoro-1,1-dipyridin-2-ylethanol

C12H9F3N2O — CID 11334268

IUPAC2,2,2-trifluoro-1,1-dipyridin-2-ylethanol
SMILESOC(c1ccccn1)(c1ccccn1)C(F)(F)F
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)11(18,9-5-1-3-7-16-9)10-6-2-4-8-17-10/h1-8,18H
InChIKeyPKCQPUXHNMHHSA-UHFFFAOYSA-N
MW254.21 g/mol
LogP2.27
Rot. Bonds2

About 2,2,2-trifluoro-1,1-dipyridin-2-ylethanol

2,2,2-trifluoro-1,1-dipyridin-2-ylethanol (PubChem CID 11334268) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-1,1-dipyridin-2-ylethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1,1-dipyridin-2-ylethanol
PubChem CID11334268
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name2,2,2-trifluoro-1,1-dipyridin-2-ylethanol
SMILESOC(c1ccccn1)(c1ccccn1)C(F)(F)F
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)11(18,9-5-1-3-7-16-9)10-6-2-4-8-17-10/h1-8,18H
InChIKeyPKCQPUXHNMHHSA-UHFFFAOYSA-N
XLogP2.27
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pirmenol
CID 65502
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
1-Benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
CID 10427620
2-Morpholin-4-yl-1-phenyl-1-pyridin-2-ylethanol
CID 5303332
1,2-Dipyridin-2-ylethane-1,2-diol
CID 95513
3-Quinuclidinol, 3-(2-pyridyl)-
CID 208598
Doxylamine alcohol
CID 86883
Phenyl(pyridin-2-yl)methanol
CID 315585
Pirmenol Hydrochloride
CID 65501
4-Hydroxy-4-pyridin-2-yl-cyclohexa-2,5-dienone
CID 482708
Tripyridin-2-ylmethanol
CID 4400709
(2-Methylphenyl)(2-pyridinyl)methanol
CID 5143164

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1,1-dipyridin-2-ylethanol?
The IUPAC name of 2,2,2-trifluoro-1,1-dipyridin-2-ylethanol (CID 11334268) is 2,2,2-trifluoro-1,1-dipyridin-2-ylethanol.
What is the SMILES notation for 2,2,2-trifluoro-1,1-dipyridin-2-ylethanol?
The canonical SMILES for 2,2,2-trifluoro-1,1-dipyridin-2-ylethanol is OC(c1ccccn1)(c1ccccn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1,1-dipyridin-2-ylethanol?
The InChIKey is PKCQPUXHNMHHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-12(14,15)11(18,9-5-1-3-7-16-9)10-6-2-4-8-17-10/h1-8,18H.
What are the key properties of 2,2,2-trifluoro-1,1-dipyridin-2-ylethanol?
2,2,2-trifluoro-1,1-dipyridin-2-ylethanol has a molecular weight of 254.21 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1,1-dipyridin-2-ylethanol is sourced from PubChem (CID 11334268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).