2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanol

C7H7F3N2O — CID 67212885

IUPAC2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanol
SMILESOCCc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6-11-3-5(1-2-13)4-12-6/h3-4,13H,1-2H2
InChIKeyWQFVOKWKFIBYHT-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.03
Rot. Bonds2

About 2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanol

2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanol (PubChem CID 67212885) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanol
PubChem CID67212885
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanol
SMILESOCCc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6-11-3-5(1-2-13)4-12-6/h3-4,13H,1-2H2
InChIKeyWQFVOKWKFIBYHT-UHFFFAOYSA-N
XLogP1.03
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanol?
The IUPAC name of 2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanol (CID 67212885) is 2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanol.
What is the SMILES notation for 2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanol?
The canonical SMILES for 2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanol is OCCc1cnc(C(F)(F)F)nc1.
What is the InChIKey of 2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanol?
The InChIKey is WQFVOKWKFIBYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)6-11-3-5(1-2-13)4-12-6/h3-4,13H,1-2H2.
What are the key properties of 2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanol?
2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanol has a molecular weight of 192.14 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 67212885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).