[2-(trifluoromethyl)pyrimidin-4-yl] acetate

C7H5F3N2O2 — CID 174538679

IUPAC[2-(trifluoromethyl)pyrimidin-4-yl] acetate
SMILESCC(=O)Oc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C7H5F3N2O2/c1-4(13)14-5-2-3-11-6(12-5)7(8,9)10/h2-3H,1H3
InChIKeySMJWEURZDZDZJE-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.42
Rot. Bonds1

About [2-(trifluoromethyl)pyrimidin-4-yl] acetate

[2-(trifluoromethyl)pyrimidin-4-yl] acetate (PubChem CID 174538679) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is [2-(trifluoromethyl)pyrimidin-4-yl] acetate.

Molecular Properties

Compound Name[2-(trifluoromethyl)pyrimidin-4-yl] acetate
PubChem CID174538679
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name[2-(trifluoromethyl)pyrimidin-4-yl] acetate
SMILESCC(=O)Oc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C7H5F3N2O2/c1-4(13)14-5-2-3-11-6(12-5)7(8,9)10/h2-3H,1H3
InChIKeySMJWEURZDZDZJE-UHFFFAOYSA-N
XLogP1.42
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)pyrimidin-4-yl] acetate?
The IUPAC name of [2-(trifluoromethyl)pyrimidin-4-yl] acetate (CID 174538679) is [2-(trifluoromethyl)pyrimidin-4-yl] acetate.
What is the SMILES notation for [2-(trifluoromethyl)pyrimidin-4-yl] acetate?
The canonical SMILES for [2-(trifluoromethyl)pyrimidin-4-yl] acetate is CC(=O)Oc1ccnc(C(F)(F)F)n1.
What is the InChIKey of [2-(trifluoromethyl)pyrimidin-4-yl] acetate?
The InChIKey is SMJWEURZDZDZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c1-4(13)14-5-2-3-11-6(12-5)7(8,9)10/h2-3H,1H3.
What are the key properties of [2-(trifluoromethyl)pyrimidin-4-yl] acetate?
[2-(trifluoromethyl)pyrimidin-4-yl] acetate has a molecular weight of 206.12 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)pyrimidin-4-yl] acetate is sourced from PubChem (CID 174538679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).