1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol

C8H8ClF3N2O — CID 158510317

IUPAC1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol
SMILESCC(O)Cc1cnc(Cl)nc1C(F)(F)F
InChIInChI=1S/C8H8ClF3N2O/c1-4(15)2-5-3-13-7(9)14-6(5)8(10,11)12/h3-4,15H,2H2,1H3
InChIKeyRTSSBJPYBIGZQR-UHFFFAOYSA-N
MW240.61 g/mol
LogP2.07
Rot. Bonds2

About 1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol

1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol (PubChem CID 158510317) has the molecular formula C8H8ClF3N2O and a molecular weight of 240.61 g/mol. Its IUPAC name is 1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol
PubChem CID158510317
Molecular FormulaC8H8ClF3N2O
Molecular Weight240.61 g/mol
Exact Mass240.03
IUPAC Name1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol
SMILESCC(O)Cc1cnc(Cl)nc1C(F)(F)F
InChIInChI=1S/C8H8ClF3N2O/c1-4(15)2-5-3-13-7(9)14-6(5)8(10,11)12/h3-4,15H,2H2,1H3
InChIKeyRTSSBJPYBIGZQR-UHFFFAOYSA-N
XLogP2.07
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol;propan-2-ol
CID 157267746
1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-ol
CID 83675743
2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
CID 2736708
2-chloro-N-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 87369005
5-chloro-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine;2,5-dichloro-4-(trifluoromethyl)pyrimidine
CID 157221631
5-(bromomethyl)-2-(1-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidine
CID 114205619
1-(2-chloro-4-ethylpyrimidin-5-yl)ethanol
CID 177012608
5-(bromomethyl)-2-(4-chlorophenyl)-4-(trifluoromethyl)pyrimidine
CID 114205628
1-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 79072496
N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine
CID 53385528
[2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
CID 82506813
2-(2-hydroxypropyl)-6-(trifluoromethyl)phenol
CID 117313740

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol?
The IUPAC name of 1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol (CID 158510317) is 1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol.
What is the SMILES notation for 1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol?
The canonical SMILES for 1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol is CC(O)Cc1cnc(Cl)nc1C(F)(F)F.
What is the InChIKey of 1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol?
The InChIKey is RTSSBJPYBIGZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O/c1-4(15)2-5-3-13-7(9)14-6(5)8(10,11)12/h3-4,15H,2H2,1H3.
What are the key properties of 1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol?
1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol has a molecular weight of 240.61 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol is sourced from PubChem (CID 158510317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).