4-(trifluoromethyl)pyrimidin-2-olate

C5H2F3N2O- — CID 42553718

IUPAC4-(trifluoromethyl)pyrimidin-2-olate
SMILES[O-]c1nccc(C(F)(F)F)n1
InChIInChI=1S/C5H3F3N2O/c6-5(7,8)3-1-2-9-4(11)10-3/h1-2H,(H,9,10,11)/p-1
InChIKeyWCEBFEVZTGLOHC-UHFFFAOYSA-M
MW163.08 g/mol
LogP0.57
Rot. Bonds

About 4-(trifluoromethyl)pyrimidin-2-olate

4-(trifluoromethyl)pyrimidin-2-olate (PubChem CID 42553718) has the molecular formula C5H2F3N2O- and a molecular weight of 163.08 g/mol. Its IUPAC name is 4-(trifluoromethyl)pyrimidin-2-olate.

Molecular Properties

Compound Name4-(trifluoromethyl)pyrimidin-2-olate
PubChem CID42553718
Molecular FormulaC5H2F3N2O-
Molecular Weight163.08 g/mol
Exact Mass163.01
IUPAC Name4-(trifluoromethyl)pyrimidin-2-olate
SMILES[O-]c1nccc(C(F)(F)F)n1
InChIInChI=1S/C5H3F3N2O/c6-5(7,8)3-1-2-9-4(11)10-3/h1-2H,(H,9,10,11)/p-1
InChIKeyWCEBFEVZTGLOHC-UHFFFAOYSA-M
XLogP0.57
TPSA48.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.08
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 10750222
acetylene;4-(trifluoromethyl)pyrimidin-2-amine
CID 142135177
lithium 4-(trifluoromethyl)pyrimidine-2-carboxylate
CID 146155155
2-pyrimidin-2-yloxy-4-(trifluoromethyl)pyrimidine
CID 172690256
2-bromo-4-(trifluoromethyl)pyrimidine;2-iodo-4-(trifluoromethyl)pyrimidine
CID 161158495
4-[4-(trifluoromethyl)pyrimidin-2-yl]aniline
CID 63319084
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
trimethyl-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]silane
CID 171323949
2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine
CID 147860136
2,4-bis(trifluoromethyl)pyrimidine;(Z)-but-2-enedioic acid
CID 174306920
methylphosphane;4-(trifluoromethyl)pyrimidine
CID 143699772
copper(1+);2-(trifluoromethyl)-1,10-phenanthroline
CID 175971875

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)pyrimidin-2-olate?
The IUPAC name of 4-(trifluoromethyl)pyrimidin-2-olate (CID 42553718) is 4-(trifluoromethyl)pyrimidin-2-olate.
What is the SMILES notation for 4-(trifluoromethyl)pyrimidin-2-olate?
The canonical SMILES for 4-(trifluoromethyl)pyrimidin-2-olate is [O-]c1nccc(C(F)(F)F)n1.
What is the InChIKey of 4-(trifluoromethyl)pyrimidin-2-olate?
The InChIKey is WCEBFEVZTGLOHC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H3F3N2O/c6-5(7,8)3-1-2-9-4(11)10-3/h1-2H,(H,9,10,11)/p-1.
What are the key properties of 4-(trifluoromethyl)pyrimidin-2-olate?
4-(trifluoromethyl)pyrimidin-2-olate has a molecular weight of 163.08 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)pyrimidin-2-olate is sourced from PubChem (CID 42553718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).