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

C13H19F3N2 — CID 55176113

IUPAC6,6-dimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine
SMILESCC1(C)Cc2c(ccn2CCC(F)(F)F)C(N)C1
InChIInChI=1S/C13H19F3N2/c1-12(2)7-10(17)9-3-5-18(11(9)8-12)6-4-13(14,15)16/h3,5,10H,4,6-8,17H2,1-2H3
InChIKeyYGHCKLAQRCQFGJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.41
Rot. Bonds2

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

6,6-dimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine (PubChem CID 55176113) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 6,6-dimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name6,6-dimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine
PubChem CID55176113
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name6,6-dimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine
SMILESCC1(C)Cc2c(ccn2CCC(F)(F)F)C(N)C1
InChIInChI=1S/C13H19F3N2/c1-12(2)7-10(17)9-3-5-18(11(9)8-12)6-4-13(14,15)16/h3,5,10H,4,6-8,17H2,1-2H3
InChIKeyYGHCKLAQRCQFGJ-UHFFFAOYSA-N
XLogP3.41
TPSA30.95 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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 6,6-dimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine (CID 55176113) is 6,6-dimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 6,6-dimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 6,6-dimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine is CC1(C)Cc2c(ccn2CCC(F)(F)F)C(N)C1.
What is the InChIKey of 6,6-dimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine?
The InChIKey is YGHCKLAQRCQFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-12(2)7-10(17)9-3-5-18(11(9)8-12)6-4-13(14,15)16/h3,5,10H,4,6-8,17H2,1-2H3.
What are the key properties of 6,6-dimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine?
6,6-dimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine has a molecular weight of 260.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 55176113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).