1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)ethanol

C10H8ClF6NO2 — CID 106972116

IUPAC1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)ethanol
SMILESOC(COCC(F)(F)F)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C10H8ClF6NO2/c11-8-5(1-2-7(18-8)10(15,16)17)6(19)3-20-4-9(12,13)14/h1-2,6,19H,3-4H2
InChIKeySMJXCGGUTLGFJF-UHFFFAOYSA-N
MW323.62 g/mol
LogP3.37
Rot. Bonds4

About 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)ethanol

1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)ethanol (PubChem CID 106972116) has the molecular formula C10H8ClF6NO2 and a molecular weight of 323.62 g/mol. Its IUPAC name is 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)ethanol.

Molecular Properties

Compound Name1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)ethanol
PubChem CID106972116
Molecular FormulaC10H8ClF6NO2
Molecular Weight323.62 g/mol
Exact Mass323.01
IUPAC Name1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)ethanol
SMILESOC(COCC(F)(F)F)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C10H8ClF6NO2/c11-8-5(1-2-7(18-8)10(15,16)17)6(19)3-20-4-9(12,13)14/h1-2,6,19H,3-4H2
InChIKeySMJXCGGUTLGFJF-UHFFFAOYSA-N
XLogP3.37
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 53.37
H-Bond Donors ≤ 51
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 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)ethanol?
The IUPAC name of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)ethanol (CID 106972116) is 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)ethanol.
What is the SMILES notation for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)ethanol?
The canonical SMILES for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)ethanol is OC(COCC(F)(F)F)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)ethanol?
The InChIKey is SMJXCGGUTLGFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF6NO2/c11-8-5(1-2-7(18-8)10(15,16)17)6(19)3-20-4-9(12,13)14/h1-2,6,19H,3-4H2.
What are the key properties of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)ethanol?
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)ethanol has a molecular weight of 323.62 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)ethanol is sourced from PubChem (CID 106972116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).