1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine

C11H15F3N2 — CID 63227345

IUPAC1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESNC1CCCc2c1ccn2CCC(F)(F)F
InChIInChI=1S/C11H15F3N2/c12-11(13,14)5-7-16-6-4-8-9(15)2-1-3-10(8)16/h4,6,9H,1-3,5,7,15H2
InChIKeyMPKWIAIGAWMKDI-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.78
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine

1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 63227345) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine
PubChem CID63227345
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESNC1CCCc2c1ccn2CCC(F)(F)F
InChIInChI=1S/C11H15F3N2/c12-11(13,14)5-7-16-6-4-8-9(15)2-1-3-10(8)16/h4,6,9H,1-3,5,7,15H2
InChIKeyMPKWIAIGAWMKDI-UHFFFAOYSA-N
XLogP2.78
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine (CID 63227345) is 1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine is NC1CCCc2c1ccn2CCC(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is MPKWIAIGAWMKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c12-11(13,14)5-7-16-6-4-8-9(15)2-1-3-10(8)16/h4,6,9H,1-3,5,7,15H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine?
1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 232.25 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 63227345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).