2,2,2-trifluoro-1-[7-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone

C17H19F3N2O — CID 67257110

IUPAC2,2,2-trifluoro-1-[7-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone
SMILESCc1cccc2c(C(=O)C(F)(F)F)cn(CCN3CCCC3)c12
InChIInChI=1S/C17H19F3N2O/c1-12-5-4-6-13-14(16(23)17(18,19)20)11-22(15(12)13)10-9-21-7-2-3-8-21/h4-6,11H,2-3,7-10H2,1H3
InChIKeyYZQCKHIQSBOLPN-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.79
Rot. Bonds4

About 2,2,2-trifluoro-1-[7-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone

2,2,2-trifluoro-1-[7-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone (PubChem CID 67257110) has the molecular formula C17H19F3N2O and a molecular weight of 324.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[7-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[7-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone
PubChem CID67257110
Molecular FormulaC17H19F3N2O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name2,2,2-trifluoro-1-[7-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone
SMILESCc1cccc2c(C(=O)C(F)(F)F)cn(CCN3CCCC3)c12
InChIInChI=1S/C17H19F3N2O/c1-12-5-4-6-13-14(16(23)17(18,19)20)11-22(15(12)13)10-9-21-7-2-3-8-21/h4-6,11H,2-3,7-10H2,1H3
InChIKeyYZQCKHIQSBOLPN-UHFFFAOYSA-N
XLogP3.79
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[7-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[7-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone (CID 67257110) is 2,2,2-trifluoro-1-[7-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[7-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[7-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone is Cc1cccc2c(C(=O)C(F)(F)F)cn(CCN3CCCC3)c12.
What is the InChIKey of 2,2,2-trifluoro-1-[7-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone?
The InChIKey is YZQCKHIQSBOLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O/c1-12-5-4-6-13-14(16(23)17(18,19)20)11-22(15(12)13)10-9-21-7-2-3-8-21/h4-6,11H,2-3,7-10H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[7-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone?
2,2,2-trifluoro-1-[7-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone has a molecular weight of 324.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[7-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone is sourced from PubChem (CID 67257110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).