1-methyl-3-pyrrolidin-3-yl-2-(trifluoromethyl)indole

C14H15F3N2 — CID 84640689

IUPAC1-methyl-3-pyrrolidin-3-yl-2-(trifluoromethyl)indole
SMILESCn1c(C(F)(F)F)c(C2CCNC2)c2ccccc21
InChIInChI=1S/C14H15F3N2/c1-19-11-5-3-2-4-10(11)12(9-6-7-18-8-9)13(19)14(15,16)17/h2-5,9,18H,6-8H2,1H3
InChIKeyPDXXIGJCNMHVOX-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.27
Rot. Bonds1

About 1-methyl-3-pyrrolidin-3-yl-2-(trifluoromethyl)indole

1-methyl-3-pyrrolidin-3-yl-2-(trifluoromethyl)indole (PubChem CID 84640689) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-methyl-3-pyrrolidin-3-yl-2-(trifluoromethyl)indole.

Molecular Properties

Compound Name1-methyl-3-pyrrolidin-3-yl-2-(trifluoromethyl)indole
PubChem CID84640689
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name1-methyl-3-pyrrolidin-3-yl-2-(trifluoromethyl)indole
SMILESCn1c(C(F)(F)F)c(C2CCNC2)c2ccccc21
InChIInChI=1S/C14H15F3N2/c1-19-11-5-3-2-4-10(11)12(9-6-7-18-8-9)13(19)14(15,16)17/h2-5,9,18H,6-8H2,1H3
InChIKeyPDXXIGJCNMHVOX-UHFFFAOYSA-N
XLogP3.27
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyrrolidin-3-yl-2-(trifluoromethyl)indole?
The IUPAC name of 1-methyl-3-pyrrolidin-3-yl-2-(trifluoromethyl)indole (CID 84640689) is 1-methyl-3-pyrrolidin-3-yl-2-(trifluoromethyl)indole.
What is the SMILES notation for 1-methyl-3-pyrrolidin-3-yl-2-(trifluoromethyl)indole?
The canonical SMILES for 1-methyl-3-pyrrolidin-3-yl-2-(trifluoromethyl)indole is Cn1c(C(F)(F)F)c(C2CCNC2)c2ccccc21.
What is the InChIKey of 1-methyl-3-pyrrolidin-3-yl-2-(trifluoromethyl)indole?
The InChIKey is PDXXIGJCNMHVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-19-11-5-3-2-4-10(11)12(9-6-7-18-8-9)13(19)14(15,16)17/h2-5,9,18H,6-8H2,1H3.
What are the key properties of 1-methyl-3-pyrrolidin-3-yl-2-(trifluoromethyl)indole?
1-methyl-3-pyrrolidin-3-yl-2-(trifluoromethyl)indole has a molecular weight of 268.28 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyrrolidin-3-yl-2-(trifluoromethyl)indole is sourced from PubChem (CID 84640689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).