1-(6-fluoro-1H-indol-3-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine

C14H16F4N2 — CID 174350900

IUPAC1-(6-fluoro-1H-indol-3-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)(Cc1c[nH]c2cc(F)ccc12)NCC(F)(F)F
InChIInChI=1S/C14H16F4N2/c1-13(2,20-8-14(16,17)18)6-9-7-19-12-5-10(15)3-4-11(9)12/h3-5,7,19-20H,6,8H2,1-2H3
InChIKeyKWHPDMHAYNYKPQ-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.78
Rot. Bonds4

About 1-(6-fluoro-1H-indol-3-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine

1-(6-fluoro-1H-indol-3-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 174350900) has the molecular formula C14H16F4N2 and a molecular weight of 288.29 g/mol. Its IUPAC name is 1-(6-fluoro-1H-indol-3-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound Name1-(6-fluoro-1H-indol-3-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID174350900
Molecular FormulaC14H16F4N2
Molecular Weight288.29 g/mol
Exact Mass288.12
IUPAC Name1-(6-fluoro-1H-indol-3-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)(Cc1c[nH]c2cc(F)ccc12)NCC(F)(F)F
InChIInChI=1S/C14H16F4N2/c1-13(2,20-8-14(16,17)18)6-9-7-19-12-5-10(15)3-4-11(9)12/h3-5,7,19-20H,6,8H2,1-2H3
InChIKeyKWHPDMHAYNYKPQ-UHFFFAOYSA-N
XLogP3.78
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1H-indol-3-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of 1-(6-fluoro-1H-indol-3-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 174350900) is 1-(6-fluoro-1H-indol-3-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for 1-(6-fluoro-1H-indol-3-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for 1-(6-fluoro-1H-indol-3-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)(Cc1c[nH]c2cc(F)ccc12)NCC(F)(F)F.
What is the InChIKey of 1-(6-fluoro-1H-indol-3-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is KWHPDMHAYNYKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2/c1-13(2,20-8-14(16,17)18)6-9-7-19-12-5-10(15)3-4-11(9)12/h3-5,7,19-20H,6,8H2,1-2H3.
What are the key properties of 1-(6-fluoro-1H-indol-3-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine?
1-(6-fluoro-1H-indol-3-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 288.29 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1H-indol-3-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 174350900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).