2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]acetic acid

C10H10F3N3O2 — CID 64618852

IUPAC2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)7-1-2-14-9(15-7)16-4-6(5-16)3-8(17)18/h1-2,6H,3-5H2,(H,17,18)
InChIKeyXUNLVXLOZWLHGX-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.41
Rot. Bonds3

About 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]acetic acid

2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]acetic acid (PubChem CID 64618852) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]acetic acid
PubChem CID64618852
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)7-1-2-14-9(15-7)16-4-6(5-16)3-8(17)18/h1-2,6H,3-5H2,(H,17,18)
InChIKeyXUNLVXLOZWLHGX-UHFFFAOYSA-N
XLogP1.41
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.41
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]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]acetic acid (CID 64618852) is 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(c2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]acetic acid?
The InChIKey is XUNLVXLOZWLHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c11-10(12,13)7-1-2-14-9(15-7)16-4-6(5-16)3-8(17)18/h1-2,6H,3-5H2,(H,17,18).
What are the key properties of 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]acetic acid?
2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]acetic acid has a molecular weight of 261.20 g/mol, XLogP of 1.41, 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]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).