(2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol

C15H14F3NO — CID 125488796

IUPAC(2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol
SMILESC[C@H](c1ccccn1)[C@@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H14F3NO/c1-11(13-9-5-6-10-19-13)14(20,15(16,17)18)12-7-3-2-4-8-12/h2-11,20H,1H3/t11-,14-/m1/s1
InChIKeyVSXGFYJECKHILO-BXUZGUMPSA-N
MW281.28 g/mol
LogP3.64
Rot. Bonds3

About (2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol

(2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol (PubChem CID 125488796) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is (2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol.

Molecular Properties

Compound Name(2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol
PubChem CID125488796
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name(2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol
SMILESC[C@H](c1ccccn1)[C@@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H14F3NO/c1-11(13-9-5-6-10-19-13)14(20,15(16,17)18)12-7-3-2-4-8-12/h2-11,20H,1H3/t11-,14-/m1/s1
InChIKeyVSXGFYJECKHILO-BXUZGUMPSA-N
XLogP3.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol
CID 125488532
ethyl 2-amino-3-pyridin-2-yl-2-(trifluoromethyl)butanoate
CID 122372494
(2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol
CID 134960749
2-(3,3,4,4-tetramethylpentan-2-yl)pyridine
CID 146411228
2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 104893387
(1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol
CID 7018024
2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine
CID 166470570
(1S,2S)-2-(3-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
CID 125488175
(1R,2S)-2-(4-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
CID 125488338
1-pyridin-2-yl-N,N-bis(1-pyridin-2-ylethyl)ethanamine
CID 15806675
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 162046659

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol?
The IUPAC name of (2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol (CID 125488796) is (2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol.
What is the SMILES notation for (2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol?
The canonical SMILES for (2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol is C[C@H](c1ccccn1)[C@@](O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol?
The InChIKey is VSXGFYJECKHILO-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-11(13-9-5-6-10-19-13)14(20,15(16,17)18)12-7-3-2-4-8-12/h2-11,20H,1H3/t11-,14-/m1/s1.
What are the key properties of (2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol?
(2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol has a molecular weight of 281.28 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol is sourced from PubChem (CID 125488796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).