7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine

C10H13F3N2 — CID 58386656

IUPAC7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine
SMILESCC1(C)CNCC2=C1CN=C2C(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-9(2)5-14-3-6-7(9)4-15-8(6)10(11,12)13/h14H,3-5H2,1-2H3
InChIKeyOSXAYQRQJRENDG-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.93
Rot. Bonds

About 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine

7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine (PubChem CID 58386656) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine
PubChem CID58386656
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine
SMILESCC1(C)CNCC2=C1CN=C2C(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-9(2)5-14-3-6-7(9)4-15-8(6)10(11,12)13/h14H,3-5H2,1-2H3
InChIKeyOSXAYQRQJRENDG-UHFFFAOYSA-N
XLogP1.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-Dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine;hydrochloride
CID 160088867
7,7-Dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine
CID 58117541

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine?
The IUPAC name of 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine (CID 58386656) is 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine is CC1(C)CNCC2=C1CN=C2C(F)(F)F.
What is the InChIKey of 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine?
The InChIKey is OSXAYQRQJRENDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-9(2)5-14-3-6-7(9)4-15-8(6)10(11,12)13/h14H,3-5H2,1-2H3.
What are the key properties of 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine?
7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine has a molecular weight of 218.22 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 58386656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).