2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine

C10H15F3N2 — CID 118974407

IUPAC2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
SMILESCN1CC2=C(C1)CN(CC(F)(F)F)CC2
InChIInChI=1S/C10H15F3N2/c1-14-4-8-2-3-15(6-9(8)5-14)7-10(11,12)13/h2-7H2,1H3
InChIKeyUMWRZXXSOHHTBR-UHFFFAOYSA-N
MW220.24 g/mol
LogP1.50
Rot. Bonds1

About 2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine

2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine (PubChem CID 118974407) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
PubChem CID118974407
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
SMILESCN1CC2=C(C1)CN(CC(F)(F)F)CC2
InChIInChI=1S/C10H15F3N2/c1-14-4-8-2-3-15(6-9(8)5-14)7-10(11,12)13/h2-7H2,1H3
InChIKeyUMWRZXXSOHHTBR-UHFFFAOYSA-N
XLogP1.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine (CID 118974407) is 2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine is CN1CC2=C(C1)CN(CC(F)(F)F)CC2.
What is the InChIKey of 2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is UMWRZXXSOHHTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-14-4-8-2-3-15(6-9(8)5-14)7-10(11,12)13/h2-7H2,1H3.
What are the key properties of 2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine?
2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 220.24 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 118974407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).