4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol

C16H16F3NO — CID 105091191

IUPAC4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
SMILESOC(CCc1cccnc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)14-6-3-12(4-7-14)10-15(21)8-5-13-2-1-9-20-11-13/h1-4,6-7,9,11,15,21H,5,8,10H2
InChIKeyXNRNKWUQZHHWTA-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.64
Rot. Bonds5

About 4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol

4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol (PubChem CID 105091191) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol.

Molecular Properties

Compound Name4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
PubChem CID105091191
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
SMILESOC(CCc1cccnc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)14-6-3-12(4-7-14)10-15(21)8-5-13-2-1-9-20-11-13/h1-4,6-7,9,11,15,21H,5,8,10H2
InChIKeyXNRNKWUQZHHWTA-UHFFFAOYSA-N
XLogP3.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105076712
5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 79953429
1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105081155
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 102710209
1-pyridin-3-ylpentan-2-ol
CID 62553061
1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol
CID 105082891
(3S)-1-pyridin-3-ylhex-5-en-3-ol
CID 124576146
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
2-methyl-1-(2-pyridin-3-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111295732
4-pyridin-3-yl-1-quinolin-2-ylbutan-2-ol
CID 105106899
N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 171910025

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol?
The IUPAC name of 4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol (CID 105091191) is 4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol.
What is the SMILES notation for 4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol?
The canonical SMILES for 4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol is OC(CCc1cccnc1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol?
The InChIKey is XNRNKWUQZHHWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)14-6-3-12(4-7-14)10-15(21)8-5-13-2-1-9-20-11-13/h1-4,6-7,9,11,15,21H,5,8,10H2.
What are the key properties of 4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol?
4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol has a molecular weight of 295.30 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol is sourced from PubChem (CID 105091191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).