2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine

C10H13F3N2 — CID 83212349

IUPAC2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine
SMILESNC1CCCc2cn(CC(F)(F)F)cc21
InChIInChI=1S/C10H13F3N2/c11-10(12,13)6-15-4-7-2-1-3-9(14)8(7)5-15/h4-5,9H,1-3,6,14H2
InChIKeyWWPVUFKGWBWYCB-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.39
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine

2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83212349) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83212349
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine
SMILESNC1CCCc2cn(CC(F)(F)F)cc21
InChIInChI=1S/C10H13F3N2/c11-10(12,13)6-15-4-7-2-1-3-9(14)8(7)5-15/h4-5,9H,1-3,6,14H2
InChIKeyWWPVUFKGWBWYCB-UHFFFAOYSA-N
XLogP2.39
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine (CID 83212349) is 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine is NC1CCCc2cn(CC(F)(F)F)cc21.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is WWPVUFKGWBWYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c11-10(12,13)6-15-4-7-2-1-3-9(14)8(7)5-15/h4-5,9H,1-3,6,14H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 218.22 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83212349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).