1-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine

C12H23F3N2O — CID 54961613

IUPAC1-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine
SMILESCC(CN1CCCC1)NCCCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-11(9-17-6-2-3-7-17)16-5-4-8-18-10-12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyAZABGZLGARUWIW-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.03
Rot. Bonds8

About 1-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine

1-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine (PubChem CID 54961613) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine
PubChem CID54961613
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name1-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine
SMILESCC(CN1CCCC1)NCCCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-11(9-17-6-2-3-7-17)16-5-4-8-18-10-12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyAZABGZLGARUWIW-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine?
The IUPAC name of 1-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine (CID 54961613) is 1-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine.
What is the SMILES notation for 1-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine?
The canonical SMILES for 1-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine is CC(CN1CCCC1)NCCCOCC(F)(F)F.
What is the InChIKey of 1-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine?
The InChIKey is AZABGZLGARUWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-11(9-17-6-2-3-7-17)16-5-4-8-18-10-12(13,14)15/h11,16H,2-10H2,1H3.
What are the key properties of 1-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine?
1-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine is sourced from PubChem (CID 54961613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).