2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid

C11H12F3N3O2 — CID 64584293

IUPAC2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)8-3-4-15-10(16-8)17-5-1-2-7(17)6-9(18)19/h3-4,7H,1-2,5-6H2,(H,18,19)
InChIKeyFQXBAENUXRWZET-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.94
Rot. Bonds3

About 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid

2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid (PubChem CID 64584293) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid
PubChem CID64584293
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)8-3-4-15-10(16-8)17-5-1-2-7(17)6-9(18)19/h3-4,7H,1-2,5-6H2,(H,18,19)
InChIKeyFQXBAENUXRWZET-UHFFFAOYSA-N
XLogP1.94
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid (CID 64584293) is 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1c1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid?
The InChIKey is FQXBAENUXRWZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)8-3-4-15-10(16-8)17-5-1-2-7(17)6-9(18)19/h3-4,7H,1-2,5-6H2,(H,18,19).
What are the key properties of 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid?
2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid has a molecular weight of 275.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 64584293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).