2,6,6-trimethyl-1-(2,2,3,3-tetrafluoropropyl)-5,7-dihydro-4H-indol-4-amine

C14H20F4N2 — CID 106294841

IUPAC2,6,6-trimethyl-1-(2,2,3,3-tetrafluoropropyl)-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1CC(F)(F)C(F)F)CC(C)(C)CC2N
InChIInChI=1S/C14H20F4N2/c1-8-4-9-10(19)5-13(2,3)6-11(9)20(8)7-14(17,18)12(15)16/h4,10,12H,5-7,19H2,1-3H3
InChIKeyZSQIMVMAMWTEPN-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.67
Rot. Bonds3

About 2,6,6-trimethyl-1-(2,2,3,3-tetrafluoropropyl)-5,7-dihydro-4H-indol-4-amine

2,6,6-trimethyl-1-(2,2,3,3-tetrafluoropropyl)-5,7-dihydro-4H-indol-4-amine (PubChem CID 106294841) has the molecular formula C14H20F4N2 and a molecular weight of 292.32 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-(2,2,3,3-tetrafluoropropyl)-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name2,6,6-trimethyl-1-(2,2,3,3-tetrafluoropropyl)-5,7-dihydro-4H-indol-4-amine
PubChem CID106294841
Molecular FormulaC14H20F4N2
Molecular Weight292.32 g/mol
Exact Mass292.16
IUPAC Name2,6,6-trimethyl-1-(2,2,3,3-tetrafluoropropyl)-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1CC(F)(F)C(F)F)CC(C)(C)CC2N
InChIInChI=1S/C14H20F4N2/c1-8-4-9-10(19)5-13(2,3)6-11(9)20(8)7-14(17,18)12(15)16/h4,10,12H,5-7,19H2,1-3H3
InChIKeyZSQIMVMAMWTEPN-UHFFFAOYSA-N
XLogP3.67
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-(2,2,3,3-tetrafluoropropyl)-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 2,6,6-trimethyl-1-(2,2,3,3-tetrafluoropropyl)-5,7-dihydro-4H-indol-4-amine (CID 106294841) is 2,6,6-trimethyl-1-(2,2,3,3-tetrafluoropropyl)-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 2,6,6-trimethyl-1-(2,2,3,3-tetrafluoropropyl)-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 2,6,6-trimethyl-1-(2,2,3,3-tetrafluoropropyl)-5,7-dihydro-4H-indol-4-amine is Cc1cc2c(n1CC(F)(F)C(F)F)CC(C)(C)CC2N.
What is the InChIKey of 2,6,6-trimethyl-1-(2,2,3,3-tetrafluoropropyl)-5,7-dihydro-4H-indol-4-amine?
The InChIKey is ZSQIMVMAMWTEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F4N2/c1-8-4-9-10(19)5-13(2,3)6-11(9)20(8)7-14(17,18)12(15)16/h4,10,12H,5-7,19H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-1-(2,2,3,3-tetrafluoropropyl)-5,7-dihydro-4H-indol-4-amine?
2,6,6-trimethyl-1-(2,2,3,3-tetrafluoropropyl)-5,7-dihydro-4H-indol-4-amine has a molecular weight of 292.32 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-(2,2,3,3-tetrafluoropropyl)-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 106294841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).