1-[6-(trifluoromethyl)-2-pyridinyl]ethyl acetate

C10H10F3NO2 — CID 174625621

IUPAC1-[6-(trifluoromethyl)-2-pyridinyl]ethyl acetate
SMILESCC(=O)OC(C)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3NO2/c1-6(16-7(2)15)8-4-3-5-9(14-8)10(11,12)13/h3-6H,1-2H3
InChIKeyKLVPYBCVJHYGEU-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.72
Rot. Bonds2

About 1-[6-(trifluoromethyl)-2-pyridinyl]ethyl acetate

1-[6-(trifluoromethyl)-2-pyridinyl]ethyl acetate (PubChem CID 174625621) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-2-pyridinyl]ethyl acetate.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-2-pyridinyl]ethyl acetate
PubChem CID174625621
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name1-[6-(trifluoromethyl)-2-pyridinyl]ethyl acetate
SMILESCC(=O)OC(C)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3NO2/c1-6(16-7(2)15)8-4-3-5-9(14-8)10(11,12)13/h3-6H,1-2H3
InChIKeyKLVPYBCVJHYGEU-UHFFFAOYSA-N
XLogP2.72
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-2-pyridinyl]ethyl acetate?
The IUPAC name of 1-[6-(trifluoromethyl)-2-pyridinyl]ethyl acetate (CID 174625621) is 1-[6-(trifluoromethyl)-2-pyridinyl]ethyl acetate.
What is the SMILES notation for 1-[6-(trifluoromethyl)-2-pyridinyl]ethyl acetate?
The canonical SMILES for 1-[6-(trifluoromethyl)-2-pyridinyl]ethyl acetate is CC(=O)OC(C)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 1-[6-(trifluoromethyl)-2-pyridinyl]ethyl acetate?
The InChIKey is KLVPYBCVJHYGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-6(16-7(2)15)8-4-3-5-9(14-8)10(11,12)13/h3-6H,1-2H3.
What are the key properties of 1-[6-(trifluoromethyl)-2-pyridinyl]ethyl acetate?
1-[6-(trifluoromethyl)-2-pyridinyl]ethyl acetate has a molecular weight of 233.19 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-2-pyridinyl]ethyl acetate is sourced from PubChem (CID 174625621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).