2-[1-[(2R)-2-methyl-5-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine

C17H18F6N2O2 — CID 149431763

IUPAC2-[1-[(2R)-2-methyl-5-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine
SMILESCC(c1ccc(OCC(F)(F)F)cn1)N1C=C(OCC(F)(F)F)C=C[C@H]1C
InChIInChI=1S/C17H18F6N2O2/c1-11-3-4-14(27-10-17(21,22)23)8-25(11)12(2)15-6-5-13(7-24-15)26-9-16(18,19)20/h3-8,11-12H,9-10H2,1-2H3/t11-,12?/m1/s1
InChIKeyFPONZBCMBOBLFH-JHJMLUEUSA-N
MW396.33 g/mol
LogP4.76
Rot. Bonds6

About 2-[1-[(2R)-2-methyl-5-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine

2-[1-[(2R)-2-methyl-5-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 149431763) has the molecular formula C17H18F6N2O2 and a molecular weight of 396.33 g/mol. Its IUPAC name is 2-[1-[(2R)-2-methyl-5-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-[1-[(2R)-2-methyl-5-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine
PubChem CID149431763
Molecular FormulaC17H18F6N2O2
Molecular Weight396.33 g/mol
Exact Mass396.13
IUPAC Name2-[1-[(2R)-2-methyl-5-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine
SMILESCC(c1ccc(OCC(F)(F)F)cn1)N1C=C(OCC(F)(F)F)C=C[C@H]1C
InChIInChI=1S/C17H18F6N2O2/c1-11-3-4-14(27-10-17(21,22)23)8-25(11)12(2)15-6-5-13(7-24-15)26-9-16(18,19)20/h3-8,11-12H,9-10H2,1-2H3/t11-,12?/m1/s1
InChIKeyFPONZBCMBOBLFH-JHJMLUEUSA-N
XLogP4.76
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2R)-2-methyl-5-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-[1-[(2R)-2-methyl-5-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine (CID 149431763) is 2-[1-[(2R)-2-methyl-5-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-[1-[(2R)-2-methyl-5-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-[1-[(2R)-2-methyl-5-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine is CC(c1ccc(OCC(F)(F)F)cn1)N1C=C(OCC(F)(F)F)C=C[C@H]1C.
What is the InChIKey of 2-[1-[(2R)-2-methyl-5-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is FPONZBCMBOBLFH-JHJMLUEUSA-N. The full InChI is InChI=1S/C17H18F6N2O2/c1-11-3-4-14(27-10-17(21,22)23)8-25(11)12(2)15-6-5-13(7-24-15)26-9-16(18,19)20/h3-8,11-12H,9-10H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of 2-[1-[(2R)-2-methyl-5-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine?
2-[1-[(2R)-2-methyl-5-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 396.33 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2R)-2-methyl-5-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 149431763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).