[4-(trifluoromethyl)-2-pyridinyl]methyl acetate

C9H8F3NO2 — CID 14761451

IUPAC[4-(trifluoromethyl)-2-pyridinyl]methyl acetate
SMILESCC(=O)OCc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C9H8F3NO2/c1-6(14)15-5-8-4-7(2-3-13-8)9(10,11)12/h2-4H,5H2,1H3
InChIKeyZSKNCTYMBBDSKF-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.16
Rot. Bonds2

About [4-(trifluoromethyl)-2-pyridinyl]methyl acetate

[4-(trifluoromethyl)-2-pyridinyl]methyl acetate (PubChem CID 14761451) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is [4-(trifluoromethyl)-2-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[4-(trifluoromethyl)-2-pyridinyl]methyl acetate
PubChem CID14761451
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name[4-(trifluoromethyl)-2-pyridinyl]methyl acetate
SMILESCC(=O)OCc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C9H8F3NO2/c1-6(14)15-5-8-4-7(2-3-13-8)9(10,11)12/h2-4H,5H2,1H3
InChIKeyZSKNCTYMBBDSKF-UHFFFAOYSA-N
XLogP2.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(trifluoromethyl)-2-pyridinyl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-2-pyridinyl]methyl acetate?
The IUPAC name of [4-(trifluoromethyl)-2-pyridinyl]methyl acetate (CID 14761451) is [4-(trifluoromethyl)-2-pyridinyl]methyl acetate.
What is the SMILES notation for [4-(trifluoromethyl)-2-pyridinyl]methyl acetate?
The canonical SMILES for [4-(trifluoromethyl)-2-pyridinyl]methyl acetate is CC(=O)OCc1cc(C(F)(F)F)ccn1.
What is the InChIKey of [4-(trifluoromethyl)-2-pyridinyl]methyl acetate?
The InChIKey is ZSKNCTYMBBDSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-6(14)15-5-8-4-7(2-3-13-8)9(10,11)12/h2-4H,5H2,1H3.
What are the key properties of [4-(trifluoromethyl)-2-pyridinyl]methyl acetate?
[4-(trifluoromethyl)-2-pyridinyl]methyl acetate has a molecular weight of 219.16 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-2-pyridinyl]methyl acetate is sourced from PubChem (CID 14761451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).