2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanol

C13H11F3N2O — CID 141113158

IUPAC2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanol
SMILESOCCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)10-3-1-9(2-4-10)12-17-7-5-11(18-12)6-8-19/h1-5,7,19H,6,8H2
InChIKeyAQLAJZKGDVYMCF-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.70
Rot. Bonds3

About 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanol

2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanol (PubChem CID 141113158) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanol
PubChem CID141113158
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanol
SMILESOCCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)10-3-1-9(2-4-10)12-17-7-5-11(18-12)6-8-19/h1-5,7,19H,6,8H2
InChIKeyAQLAJZKGDVYMCF-UHFFFAOYSA-N
XLogP2.70
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-trifluoro-3-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylamino]propan-2-ol
CID 88932520
2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanol
CID 22250819
2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 15486309
4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 91014486
2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol
CID 150670696
[4-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]carbamic acid
CID 67519375
4-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 55114299
2-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine;hydrochloride
CID 121300182
2-[2-(4-bromophenyl)pyrimidin-4-yl]ethanamine
CID 62746440
2-phenyl-4-(2-phenylethyl)pyrimidine
CID 134958718
2-(2-aminopyrimidin-4-yl)ethanol
CID 22444209
2-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
CID 154214481

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanol?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanol (CID 141113158) is 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanol.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanol?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanol is OCCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanol?
The InChIKey is AQLAJZKGDVYMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c14-13(15,16)10-3-1-9(2-4-10)12-17-7-5-11(18-12)6-8-19/h1-5,7,19H,6,8H2.
What are the key properties of 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanol?
2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanol has a molecular weight of 268.24 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanol is sourced from PubChem (CID 141113158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).