2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid

C9H9F3N2O3 — CID 22270642

IUPAC2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid
SMILESCC(C)(Oc1cc(C(F)(F)F)ncn1)C(=O)O
InChIInChI=1S/C9H9F3N2O3/c1-8(2,7(15)16)17-6-3-5(9(10,11)12)13-4-14-6/h3-4H,1-2H3,(H,15,16)
InChIKeyWNLKFFVWZDIHOZ-UHFFFAOYSA-N
MW250.18 g/mol
LogP1.74
Rot. Bonds3

About 2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid

2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid (PubChem CID 22270642) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid
PubChem CID22270642
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Name2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid
SMILESCC(C)(Oc1cc(C(F)(F)F)ncn1)C(=O)O
InChIInChI=1S/C9H9F3N2O3/c1-8(2,7(15)16)17-6-3-5(9(10,11)12)13-4-14-6/h3-4H,1-2H3,(H,15,16)
InChIKeyWNLKFFVWZDIHOZ-UHFFFAOYSA-N
XLogP1.74
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxyacetate
CID 20602959
Methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxypropanoate
CID 20602960
4-[6-(Trifluoromethyl)pyrimidin-4-yl]oxybutanal
CID 59527210
4-[6-(Trifluoromethyl)pyrimidin-4-yl]oxybutan-1-ol
CID 59527371
2-Methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide
CID 69147971
2-[6-(1,1-Difluoroethyl)pyrimidin-4-yl]oxy-2-methylpropanoic acid
CID 70836178
4-Propan-2-yloxy-6-(trifluoromethyl)pyrimidine
CID 91532673
2-{[6-(Trifluoromethyl)pyrimidin-4-yl]oxy}acetic acid
CID 94077245
Ethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate
CID 156739083
Tert-butyl 2-[2-[2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxyethoxy]ethoxy]acetate
CID 171557911
4-(2-Methylpropoxy)-6-(trifluoromethyl)pyrimidine
CID 172328562
2-[6-(Trifluoromethyl)pyrimidin-4-yl]oxyacetaldehyde
CID 175753906

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid?
The IUPAC name of 2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid (CID 22270642) is 2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid?
The canonical SMILES for 2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid is CC(C)(Oc1cc(C(F)(F)F)ncn1)C(=O)O.
What is the InChIKey of 2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid?
The InChIKey is WNLKFFVWZDIHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c1-8(2,7(15)16)17-6-3-5(9(10,11)12)13-4-14-6/h3-4H,1-2H3,(H,15,16).
What are the key properties of 2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid?
2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid has a molecular weight of 250.18 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 22270642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).