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

C13H19F3N2 — CID 123512886

IUPAC2-methylidene-3-propan-2-yl-6-(2,2,2-trifluoroethyl)-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine
SMILESC=C1NC2=C(CCN(CC(F)(F)F)C2)C1C(C)C
InChIInChI=1S/C13H19F3N2/c1-8(2)12-9(3)17-11-6-18(5-4-10(11)12)7-13(14,15)16/h8,12,17H,3-7H2,1-2H3
InChIKeySKZAQGFBASAGAK-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.90
Rot. Bonds2

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

2-methylidene-3-propan-2-yl-6-(2,2,2-trifluoroethyl)-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine (PubChem CID 123512886) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-methylidene-3-propan-2-yl-6-(2,2,2-trifluoroethyl)-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-methylidene-3-propan-2-yl-6-(2,2,2-trifluoroethyl)-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine
PubChem CID123512886
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name2-methylidene-3-propan-2-yl-6-(2,2,2-trifluoroethyl)-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine
SMILESC=C1NC2=C(CCN(CC(F)(F)F)C2)C1C(C)C
InChIInChI=1S/C13H19F3N2/c1-8(2)12-9(3)17-11-6-18(5-4-10(11)12)7-13(14,15)16/h8,12,17H,3-7H2,1-2H3
InChIKeySKZAQGFBASAGAK-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-propan-2-yl-6-(2,2,2-trifluoroethyl)-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 2-methylidene-3-propan-2-yl-6-(2,2,2-trifluoroethyl)-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine (CID 123512886) is 2-methylidene-3-propan-2-yl-6-(2,2,2-trifluoroethyl)-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-methylidene-3-propan-2-yl-6-(2,2,2-trifluoroethyl)-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-methylidene-3-propan-2-yl-6-(2,2,2-trifluoroethyl)-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine is C=C1NC2=C(CCN(CC(F)(F)F)C2)C1C(C)C.
What is the InChIKey of 2-methylidene-3-propan-2-yl-6-(2,2,2-trifluoroethyl)-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is SKZAQGFBASAGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-8(2)12-9(3)17-11-6-18(5-4-10(11)12)7-13(14,15)16/h8,12,17H,3-7H2,1-2H3.
What are the key properties of 2-methylidene-3-propan-2-yl-6-(2,2,2-trifluoroethyl)-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine?
2-methylidene-3-propan-2-yl-6-(2,2,2-trifluoroethyl)-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 260.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-propan-2-yl-6-(2,2,2-trifluoroethyl)-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 123512886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).