4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-en-1-ol

C9H9F3N2O — CID 170476886

IUPAC4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-en-1-ol
SMILESOCCC=Cc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)8-13-5-7(6-14-8)3-1-2-4-15/h1,3,5-6,15H,2,4H2
InChIKeyQMVLXSIVYSLTKB-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.89
Rot. Bonds3

About 4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-en-1-ol

4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-en-1-ol (PubChem CID 170476886) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-en-1-ol.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-en-1-ol
PubChem CID170476886
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-en-1-ol
SMILESOCCC=Cc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)8-13-5-7(6-14-8)3-1-2-4-15/h1,3,5-6,15H,2,4H2
InChIKeyQMVLXSIVYSLTKB-UHFFFAOYSA-N
XLogP1.89
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-azidobut-1-enyl)-2-(trifluoromethyl)pyrimidine
CID 170485602
(Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol
CID 118168632
(E)-3-[2-(trifluoromethyl)pyrimidin-5-yl]prop-2-enoyl chloride
CID 118366719
4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]but-3-en-1-ol
CID 170477660
4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477050
4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477031
4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol
CID 170476193
3-amino-5-(4-hydroxybut-1-enyl)pyridine-2-carboxylic acid
CID 170476900
1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone
CID 170476646
(E)-4-(5-methylpyrimidin-2-yl)but-3-en-1-ol
CID 134541607
2-chloro-5-(4-hydroxybut-1-enyl)pyridine-3-carbonitrile
CID 170476499
3-(4-hydroxybut-1-enyl)-5-(trifluoromethoxy)benzaldehyde
CID 170477457

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-en-1-ol?
The IUPAC name of 4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-en-1-ol (CID 170476886) is 4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-en-1-ol.
What is the SMILES notation for 4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-en-1-ol?
The canonical SMILES for 4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-en-1-ol is OCCC=Cc1cnc(C(F)(F)F)nc1.
What is the InChIKey of 4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-en-1-ol?
The InChIKey is QMVLXSIVYSLTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)8-13-5-7(6-14-8)3-1-2-4-15/h1,3,5-6,15H,2,4H2.
What are the key properties of 4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-en-1-ol?
4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-en-1-ol has a molecular weight of 218.18 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-en-1-ol is sourced from PubChem (CID 170476886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).