2-[6-(1,1-difluoroethyl)pyrimidin-4-yl]oxy-2-methylpropanoic acid

C10H12F2N2O3 — CID 70836178

IUPAC2-[6-(1,1-difluoroethyl)pyrimidin-4-yl]oxy-2-methylpropanoic acid
SMILESCC(C)(Oc1cc(C(C)(F)F)ncn1)C(=O)O
InChIInChI=1S/C10H12F2N2O3/c1-9(2,8(15)16)17-7-4-6(10(3,11)12)13-5-14-7/h4-5H,1-3H3,(H,15,16)
InChIKeyLZEBVCJILPPAHM-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.83
Rot. Bonds4

About 2-[6-(1,1-difluoroethyl)pyrimidin-4-yl]oxy-2-methylpropanoic acid

2-[6-(1,1-difluoroethyl)pyrimidin-4-yl]oxy-2-methylpropanoic acid (PubChem CID 70836178) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is 2-[6-(1,1-difluoroethyl)pyrimidin-4-yl]oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[6-(1,1-difluoroethyl)pyrimidin-4-yl]oxy-2-methylpropanoic acid
PubChem CID70836178
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Name2-[6-(1,1-difluoroethyl)pyrimidin-4-yl]oxy-2-methylpropanoic acid
SMILESCC(C)(Oc1cc(C(C)(F)F)ncn1)C(=O)O
InChIInChI=1S/C10H12F2N2O3/c1-9(2,8(15)16)17-7-4-6(10(3,11)12)13-5-14-7/h4-5H,1-3H3,(H,15,16)
InChIKeyLZEBVCJILPPAHM-UHFFFAOYSA-N
XLogP1.83
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-2-((6-(trifluoromethyl)pyrimidin-4-yl)oxy)propanoic acid
CID 22270642
4-Ethyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 57013685
4-(2,2-Difluoroethoxy)-6-ethylpyrimidine
CID 89084421
2-{[6-(Trifluoromethyl)pyrimidin-4-yl]oxy}acetic acid
CID 94077245
Ethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate
CID 156739083
2-((6-Methylpyrimidin-4-yl)oxy)acetic acid
CID 82413452
2-((6-Isopropylpyrimidin-4-yl)oxy)acetic acid
CID 94075181
2-[(6-Ethyl-5-fluoropyrimidin-4-yl)oxy]acetic acid
CID 108152275
2-Methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanal
CID 142807493
Methyl 2-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)acetate
CID 168016905
Ethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)oxy]propanoate
CID 168032633
Ethyl 2-((6-(trifluoromethyl)pyrimidin-4-yl)oxy)propanoate
CID 168032648

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,1-difluoroethyl)pyrimidin-4-yl]oxy-2-methylpropanoic acid?
The IUPAC name of 2-[6-(1,1-difluoroethyl)pyrimidin-4-yl]oxy-2-methylpropanoic acid (CID 70836178) is 2-[6-(1,1-difluoroethyl)pyrimidin-4-yl]oxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[6-(1,1-difluoroethyl)pyrimidin-4-yl]oxy-2-methylpropanoic acid?
The canonical SMILES for 2-[6-(1,1-difluoroethyl)pyrimidin-4-yl]oxy-2-methylpropanoic acid is CC(C)(Oc1cc(C(C)(F)F)ncn1)C(=O)O.
What is the InChIKey of 2-[6-(1,1-difluoroethyl)pyrimidin-4-yl]oxy-2-methylpropanoic acid?
The InChIKey is LZEBVCJILPPAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-9(2,8(15)16)17-7-4-6(10(3,11)12)13-5-14-7/h4-5H,1-3H3,(H,15,16).
What are the key properties of 2-[6-(1,1-difluoroethyl)pyrimidin-4-yl]oxy-2-methylpropanoic acid?
2-[6-(1,1-difluoroethyl)pyrimidin-4-yl]oxy-2-methylpropanoic acid has a molecular weight of 246.21 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,1-difluoroethyl)pyrimidin-4-yl]oxy-2-methylpropanoic acid is sourced from PubChem (CID 70836178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).