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WEIOIYMBZDYIMX-UHFFFAOYSA-N

C8H9F3N2O — CID 62100177

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-amine
SMILESCc1ccc(OCC(F)(F)F)c(N)n1
InChIInChI=1S/C8H9F3N2O/c1-5-2-3-6(7(12)13-5)14-4-8(9,10)11/h2-3H,4H2,1H3,(H2,12,13)
InChIKeyWEIOIYMBZDYIMX-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.91
Rot. Bonds2

About WEIOIYMBZDYIMX-UHFFFAOYSA-N

WEIOIYMBZDYIMX-UHFFFAOYSA-N (PubChem CID 62100177) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 6-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-amine.

Molecular Properties

Compound NameWEIOIYMBZDYIMX-UHFFFAOYSA-N
PubChem CID62100177
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name6-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-amine
SMILESCc1ccc(OCC(F)(F)F)c(N)n1
InChIInChI=1S/C8H9F3N2O/c1-5-2-3-6(7(12)13-5)14-4-8(9,10)11/h2-3H,4H2,1H3,(H2,12,13)
InChIKeyWEIOIYMBZDYIMX-UHFFFAOYSA-N
XLogP1.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of WEIOIYMBZDYIMX-UHFFFAOYSA-N?
The IUPAC name of WEIOIYMBZDYIMX-UHFFFAOYSA-N (CID 62100177) is 6-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-amine.
What is the SMILES notation for WEIOIYMBZDYIMX-UHFFFAOYSA-N?
The canonical SMILES for WEIOIYMBZDYIMX-UHFFFAOYSA-N is Cc1ccc(OCC(F)(F)F)c(N)n1.
What is the InChIKey of WEIOIYMBZDYIMX-UHFFFAOYSA-N?
The InChIKey is WEIOIYMBZDYIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-5-2-3-6(7(12)13-5)14-4-8(9,10)11/h2-3H,4H2,1H3,(H2,12,13).
What are the key properties of WEIOIYMBZDYIMX-UHFFFAOYSA-N?
WEIOIYMBZDYIMX-UHFFFAOYSA-N has a molecular weight of 206.17 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for WEIOIYMBZDYIMX-UHFFFAOYSA-N is sourced from PubChem (CID 62100177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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