3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine

C11H13F3N2O2 — CID 114072689

IUPAC3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
SMILESCOC1(CNc2nc(F)c(F)cc2F)CCOC1
InChIInChI=1S/C11H13F3N2O2/c1-17-11(2-3-18-6-11)5-15-10-8(13)4-7(12)9(14)16-10/h4H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyNTOZSLAWYSSMNP-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.72
Rot. Bonds4

About 3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine

3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine (PubChem CID 114072689) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
PubChem CID114072689
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
SMILESCOC1(CNc2nc(F)c(F)cc2F)CCOC1
InChIInChI=1S/C11H13F3N2O2/c1-17-11(2-3-18-6-11)5-15-10-8(13)4-7(12)9(14)16-10/h4H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyNTOZSLAWYSSMNP-UHFFFAOYSA-N
XLogP1.72
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine (CID 114072689) is 3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine is COC1(CNc2nc(F)c(F)cc2F)CCOC1.
What is the InChIKey of 3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine?
The InChIKey is NTOZSLAWYSSMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-17-11(2-3-18-6-11)5-15-10-8(13)4-7(12)9(14)16-10/h4H,2-3,5-6H2,1H3,(H,15,16).
What are the key properties of 3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine?
3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine has a molecular weight of 262.23 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 114072689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).