4-(2,2,2-trifluoroethoxymethyl)-2-[4-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine

C16H14F6N2O2 — CID 90702809

IUPAC4-(2,2,2-trifluoroethoxymethyl)-2-[4-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine
SMILESFC(F)(F)COCc1ccnc(-c2cc(COCC(F)(F)F)ccn2)c1
InChIInChI=1S/C16H14F6N2O2/c17-15(18,19)9-25-7-11-1-3-23-13(5-11)14-6-12(2-4-24-14)8-26-10-16(20,21)22/h1-6H,7-10H2
InChIKeyPZORRSAACLWWCM-UHFFFAOYSA-N
MW380.29 g/mol
LogP4.30
Rot. Bonds7

About 4-(2,2,2-trifluoroethoxymethyl)-2-[4-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine

4-(2,2,2-trifluoroethoxymethyl)-2-[4-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine (PubChem CID 90702809) has the molecular formula C16H14F6N2O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxymethyl)-2-[4-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxymethyl)-2-[4-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine
PubChem CID90702809
Molecular FormulaC16H14F6N2O2
Molecular Weight380.29 g/mol
Exact Mass380.10
IUPAC Name4-(2,2,2-trifluoroethoxymethyl)-2-[4-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine
SMILESFC(F)(F)COCc1ccnc(-c2cc(COCC(F)(F)F)ccn2)c1
InChIInChI=1S/C16H14F6N2O2/c17-15(18,19)9-25-7-11-1-3-23-13(5-11)14-6-12(2-4-24-14)8-26-10-16(20,21)22/h1-6H,7-10H2
InChIKeyPZORRSAACLWWCM-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 4-(2,2,2-trifluoroethoxymethyl)-2-[4-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine?
The IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)-2-[4-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine (CID 90702809) is 4-(2,2,2-trifluoroethoxymethyl)-2-[4-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxymethyl)-2-[4-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine?
The canonical SMILES for 4-(2,2,2-trifluoroethoxymethyl)-2-[4-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine is FC(F)(F)COCc1ccnc(-c2cc(COCC(F)(F)F)ccn2)c1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxymethyl)-2-[4-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine?
The InChIKey is PZORRSAACLWWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F6N2O2/c17-15(18,19)9-25-7-11-1-3-23-13(5-11)14-6-12(2-4-24-14)8-26-10-16(20,21)22/h1-6H,7-10H2.
What are the key properties of 4-(2,2,2-trifluoroethoxymethyl)-2-[4-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine?
4-(2,2,2-trifluoroethoxymethyl)-2-[4-(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 4-(2,2,2-trifluoroethoxymethyl)-2-[4-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 90702809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).