2,2,2-trifluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)ethanamine

C9H17F3N2 — CID 61364891

IUPAC2,2,2-trifluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)ethanamine
SMILESCN(CCC1CCCN1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-14(7-9(10,11)12)6-4-8-3-2-5-13-8/h8,13H,2-7H2,1H3
InChIKeyZARPSBNJOPSIMI-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.62
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)ethanamine

2,2,2-trifluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)ethanamine (PubChem CID 61364891) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)ethanamine
PubChem CID61364891
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name2,2,2-trifluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)ethanamine
SMILESCN(CCC1CCCN1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-14(7-9(10,11)12)6-4-8-3-2-5-13-8/h8,13H,2-7H2,1H3
InChIKeyZARPSBNJOPSIMI-UHFFFAOYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 98388
CID 98388
CID 643509
CID 643509
CID 17991738
CID 17991738
CID 20063893
CID 20063893
CID 66645646
CID 66645646
CID 155100868
CID 155100868
CID 68096728
CID 68096728
CID 14447347
CID 14447347
CID 93391493
CID 93391493
CID 171359672
CID 171359672
CID 15672704
CID 15672704
CID 19973225
CID 19973225

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)ethanamine (CID 61364891) is 2,2,2-trifluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)ethanamine is CN(CCC1CCCN1)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)ethanamine?
The InChIKey is ZARPSBNJOPSIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-14(7-9(10,11)12)6-4-8-3-2-5-13-8/h8,13H,2-7H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)ethanamine?
2,2,2-trifluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)ethanamine has a molecular weight of 210.24 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)ethanamine is sourced from PubChem (CID 61364891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).