(2R)-1-fluoro-2-phenyl-4-pyridin-2-ylbutan-2-ol

C15H16FNO — CID 138963723

IUPAC(2R)-1-fluoro-2-phenyl-4-pyridin-2-ylbutan-2-ol
SMILESO[C@](CF)(CCc1ccccn1)c1ccccc1
InChIInChI=1S/C15H16FNO/c16-12-15(18,13-6-2-1-3-7-13)10-9-14-8-4-5-11-17-14/h1-8,11,18H,9-10,12H2/t15-/m0/s1
InChIKeyITSFCSADWFWGKW-HNNXBMFYSA-N
MW245.30 g/mol
LogP2.87
Rot. Bonds5

About (2R)-1-fluoro-2-phenyl-4-pyridin-2-ylbutan-2-ol

(2R)-1-fluoro-2-phenyl-4-pyridin-2-ylbutan-2-ol (PubChem CID 138963723) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is (2R)-1-fluoro-2-phenyl-4-pyridin-2-ylbutan-2-ol.

Molecular Properties

Compound Name(2R)-1-fluoro-2-phenyl-4-pyridin-2-ylbutan-2-ol
PubChem CID138963723
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name(2R)-1-fluoro-2-phenyl-4-pyridin-2-ylbutan-2-ol
SMILESO[C@](CF)(CCc1ccccn1)c1ccccc1
InChIInChI=1S/C15H16FNO/c16-12-15(18,13-6-2-1-3-7-13)10-9-14-8-4-5-11-17-14/h1-8,11,18H,9-10,12H2/t15-/m0/s1
InChIKeyITSFCSADWFWGKW-HNNXBMFYSA-N
XLogP2.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Doxylamine
CID 3162
4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
Pirmenol
CID 65502
NoName_714
CID 135489221
5-Ethyl-2-pyridineethanol
CID 78894
2-Pyridinealdoxime O-benzyl ether
CID 9562669
Phenyl(pyridin-3-yl)methanol
CID 234839
alpha-Phenyl-4-pyridinemethanol
CID 98305
alpha,alpha-Diphenyl-4-pyridinemethanol
CID 74177
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
4-(Hydroxymethyl)quinoline
CID 80479
1-Benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
CID 10427620

Frequently Asked Questions

What is the IUPAC name of (2R)-1-fluoro-2-phenyl-4-pyridin-2-ylbutan-2-ol?
The IUPAC name of (2R)-1-fluoro-2-phenyl-4-pyridin-2-ylbutan-2-ol (CID 138963723) is (2R)-1-fluoro-2-phenyl-4-pyridin-2-ylbutan-2-ol.
What is the SMILES notation for (2R)-1-fluoro-2-phenyl-4-pyridin-2-ylbutan-2-ol?
The canonical SMILES for (2R)-1-fluoro-2-phenyl-4-pyridin-2-ylbutan-2-ol is O[C@](CF)(CCc1ccccn1)c1ccccc1.
What is the InChIKey of (2R)-1-fluoro-2-phenyl-4-pyridin-2-ylbutan-2-ol?
The InChIKey is ITSFCSADWFWGKW-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16FNO/c16-12-15(18,13-6-2-1-3-7-13)10-9-14-8-4-5-11-17-14/h1-8,11,18H,9-10,12H2/t15-/m0/s1.
What are the key properties of (2R)-1-fluoro-2-phenyl-4-pyridin-2-ylbutan-2-ol?
(2R)-1-fluoro-2-phenyl-4-pyridin-2-ylbutan-2-ol has a molecular weight of 245.30 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-fluoro-2-phenyl-4-pyridin-2-ylbutan-2-ol is sourced from PubChem (CID 138963723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).