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

C14H21F3N2 — CID 63227344

IUPAC2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1CCC(F)(F)F)CC(C)(C)CC2N
InChIInChI=1S/C14H21F3N2/c1-9-6-10-11(18)7-13(2,3)8-12(10)19(9)5-4-14(15,16)17/h6,11H,4-5,7-8,18H2,1-3H3
InChIKeyRRLUJIBMOQYVPR-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.72
Rot. Bonds2

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

2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine (PubChem CID 63227344) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine
PubChem CID63227344
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1CCC(F)(F)F)CC(C)(C)CC2N
InChIInChI=1S/C14H21F3N2/c1-9-6-10-11(18)7-13(2,3)8-12(10)19(9)5-4-14(15,16)17/h6,11H,4-5,7-8,18H2,1-3H3
InChIKeyRRLUJIBMOQYVPR-UHFFFAOYSA-N
XLogP3.72
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine (CID 63227344) is 2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine is Cc1cc2c(n1CCC(F)(F)F)CC(C)(C)CC2N.
What is the InChIKey of 2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine?
The InChIKey is RRLUJIBMOQYVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-9-6-10-11(18)7-13(2,3)8-12(10)19(9)5-4-14(15,16)17/h6,11H,4-5,7-8,18H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine?
2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine has a molecular weight of 274.33 g/mol, XLogP of 3.72, 2 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-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 63227344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).