[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanone

C14H15ClF3NO2 — CID 106971888

IUPAC[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)c2ccc(C(F)(F)F)nc2Cl)C1C
InChIInChI=1S/C14H15ClF3NO2/c1-6-7(2)21-8(3)11(6)12(20)9-4-5-10(14(16,17)18)19-13(9)15/h4-8,11H,1-3H3
InChIKeyPKSRFNLEVGYJIW-UHFFFAOYSA-N
MW321.73 g/mol
LogP4.00
Rot. Bonds2

About [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanone

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 106971888) has the molecular formula C14H15ClF3NO2 and a molecular weight of 321.73 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID106971888
Molecular FormulaC14H15ClF3NO2
Molecular Weight321.73 g/mol
Exact Mass321.07
IUPAC Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)c2ccc(C(F)(F)F)nc2Cl)C1C
InChIInChI=1S/C14H15ClF3NO2/c1-6-7(2)21-8(3)11(6)12(20)9-4-5-10(14(16,17)18)19-13(9)15/h4-8,11H,1-3H3
InChIKeyPKSRFNLEVGYJIW-UHFFFAOYSA-N
XLogP4.00
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.73
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanone (CID 106971888) is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanone is CC1OC(C)C(C(=O)c2ccc(C(F)(F)F)nc2Cl)C1C.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is PKSRFNLEVGYJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3NO2/c1-6-7(2)21-8(3)11(6)12(20)9-4-5-10(14(16,17)18)19-13(9)15/h4-8,11H,1-3H3.
What are the key properties of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanone?
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 321.73 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 106971888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).