5-(2,2,2-trifluoroethoxymethyl)-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine

C16H14F6N2O2 — CID 102232299

IUPAC5-(2,2,2-trifluoroethoxymethyl)-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine
SMILESFC(F)(F)COCc1ccc(-c2ccc(COCC(F)(F)F)cn2)nc1
InChIInChI=1S/C16H14F6N2O2/c17-15(18,19)9-25-7-11-1-3-13(23-5-11)14-4-2-12(6-24-14)8-26-10-16(20,21)22/h1-6H,7-10H2
InChIKeyALSFNFRKZFIOBL-UHFFFAOYSA-N
MW380.29 g/mol
LogP4.30
Rot. Bonds7

About 5-(2,2,2-trifluoroethoxymethyl)-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine

5-(2,2,2-trifluoroethoxymethyl)-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine (PubChem CID 102232299) has the molecular formula C16H14F6N2O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxymethyl)-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxymethyl)-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine
PubChem CID102232299
Molecular FormulaC16H14F6N2O2
Molecular Weight380.29 g/mol
Exact Mass380.10
IUPAC Name5-(2,2,2-trifluoroethoxymethyl)-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine
SMILESFC(F)(F)COCc1ccc(-c2ccc(COCC(F)(F)F)cn2)nc1
InChIInChI=1S/C16H14F6N2O2/c17-15(18,19)9-25-7-11-1-3-13(23-5-11)14-4-2-12(6-24-14)8-26-10-16(20,21)22/h1-6H,7-10H2
InChIKeyALSFNFRKZFIOBL-UHFFFAOYSA-N
XLogP4.30
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethoxymethyl)-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine?
The IUPAC name of 5-(2,2,2-trifluoroethoxymethyl)-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine (CID 102232299) is 5-(2,2,2-trifluoroethoxymethyl)-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxymethyl)-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine?
The canonical SMILES for 5-(2,2,2-trifluoroethoxymethyl)-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine is FC(F)(F)COCc1ccc(-c2ccc(COCC(F)(F)F)cn2)nc1.
What is the InChIKey of 5-(2,2,2-trifluoroethoxymethyl)-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine?
The InChIKey is ALSFNFRKZFIOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F6N2O2/c17-15(18,19)9-25-7-11-1-3-13(23-5-11)14-4-2-12(6-24-14)8-26-10-16(20,21)22/h1-6H,7-10H2.
What are the key properties of 5-(2,2,2-trifluoroethoxymethyl)-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine?
5-(2,2,2-trifluoroethoxymethyl)-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine has a molecular weight of 380.29 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethoxymethyl)-2-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 102232299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).