2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid

C7H6F2N2O2 — CID 84661261

IUPAC2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid
SMILESO=C(O)Cc1nccc(C(F)F)n1
InChIInChI=1S/C7H6F2N2O2/c8-7(9)4-1-2-10-5(11-4)3-6(12)13/h1-2,7H,3H2,(H,12,13)
InChIKeyOTMWEVLRUQBOBB-UHFFFAOYSA-N
MW188.13 g/mol
LogP1.04
Rot. Bonds3

About 2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid

2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid (PubChem CID 84661261) has the molecular formula C7H6F2N2O2 and a molecular weight of 188.13 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid
PubChem CID84661261
Molecular FormulaC7H6F2N2O2
Molecular Weight188.13 g/mol
Exact Mass188.04
IUPAC Name2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid
SMILESO=C(O)Cc1nccc(C(F)F)n1
InChIInChI=1S/C7H6F2N2O2/c8-7(9)4-1-2-10-5(11-4)3-6(12)13/h1-2,7H,3H2,(H,12,13)
InChIKeyOTMWEVLRUQBOBB-UHFFFAOYSA-N
XLogP1.04
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid 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

[4-(difluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride
CID 119031436
N-[[4-(difluoromethyl)pyrimidin-2-yl]methyl]prop-2-enamide
CID 146108153
2-[6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 130097218
4-(difluoromethyl)-2-(trifluoromethoxymethyl)pyrimidine
CID 123454502
4-(difluoromethyl)-2-(2-methoxyethyl)pyrimidine
CID 123949167
2-[4-(4-methylphenyl)pyrimidin-2-yl]acetic acid
CID 82391246
2-(4-propoxypyrimidin-2-yl)acetic acid
CID 104571285
2-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid
CID 82490190
2,4-bis(difluoromethyl)pyrimidine
CID 68586221
2-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid
CID 82490188
2-pyrido[3,4-d]pyrimidin-2-ylacetic acid
CID 83877060
2-[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]acetic acid
CID 82488194

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid (CID 84661261) is 2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid is O=C(O)Cc1nccc(C(F)F)n1.
What is the InChIKey of 2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid?
The InChIKey is OTMWEVLRUQBOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2/c8-7(9)4-1-2-10-5(11-4)3-6(12)13/h1-2,7H,3H2,(H,12,13).
What are the key properties of 2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid?
2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid has a molecular weight of 188.13 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid is sourced from PubChem (CID 84661261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).