2-pyridin-4-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol

C15H14F3NO2 — CID 117246541

IUPAC2-pyridin-4-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol
SMILESOCC(COc1ccc(C(F)(F)F)cc1)c1ccncc1
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)13-1-3-14(4-2-13)21-10-12(9-20)11-5-7-19-8-6-11/h1-8,12,20H,9-10H2
InChIKeyWGGDGWPKUOGGER-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.26
Rot. Bonds5

About 2-pyridin-4-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol

2-pyridin-4-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol (PubChem CID 117246541) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-pyridin-4-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol.

Molecular Properties

Compound Name2-pyridin-4-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol
PubChem CID117246541
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-pyridin-4-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol
SMILESOCC(COc1ccc(C(F)(F)F)cc1)c1ccncc1
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)13-1-3-14(4-2-13)21-10-12(9-20)11-5-7-19-8-6-11/h1-8,12,20H,9-10H2
InChIKeyWGGDGWPKUOGGER-UHFFFAOYSA-N
XLogP3.26
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(trifluoromethyl)phenoxy]methyl]butane-1,4-diol
CID 117236902
2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 117244962
3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 63215999
2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid
CID 117241340
3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 117243023
4-hydroxy-2-[[4-(trifluoromethyl)phenoxy]methyl]butanoic acid
CID 117237049
4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241739
4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol
CID 117244973
1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241736
2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 117244064
2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol
CID 117245002
2-methyl-3-[4-(trifluoromethyl)phenoxy]propanethioamide
CID 43175370

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol?
The IUPAC name of 2-pyridin-4-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol (CID 117246541) is 2-pyridin-4-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol.
What is the SMILES notation for 2-pyridin-4-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol?
The canonical SMILES for 2-pyridin-4-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol is OCC(COc1ccc(C(F)(F)F)cc1)c1ccncc1.
What is the InChIKey of 2-pyridin-4-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol?
The InChIKey is WGGDGWPKUOGGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c16-15(17,18)13-1-3-14(4-2-13)21-10-12(9-20)11-5-7-19-8-6-11/h1-8,12,20H,9-10H2.
What are the key properties of 2-pyridin-4-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol?
2-pyridin-4-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol has a molecular weight of 297.28 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol is sourced from PubChem (CID 117246541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).