N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine

C10H19F3N2 — CID 63217922

IUPACN-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCC1(C)CCCN1CCNCC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-9(2)4-3-6-15(9)7-5-14-8-10(11,12)13/h14H,3-8H2,1-2H3
InChIKeyNPWCOIQKBLZHSA-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.01
Rot. Bonds4

About N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine

N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 63217922) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID63217922
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC NameN-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCC1(C)CCCN1CCNCC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-9(2)4-3-6-15(9)7-5-14-8-10(11,12)13/h14H,3-8H2,1-2H3
InChIKeyNPWCOIQKBLZHSA-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine (CID 63217922) is N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine is CC1(C)CCCN1CCNCC(F)(F)F.
What is the InChIKey of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is NPWCOIQKBLZHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-9(2)4-3-6-15(9)7-5-14-8-10(11,12)13/h14H,3-8H2,1-2H3.
What are the key properties of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 224.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 63217922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).