1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine

C9H17F3N2O — CID 82712648

IUPAC1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCC(CC1CCCN1)NOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-7(5-8-3-2-4-13-8)14-15-6-9(10,11)12/h7-8,13-14H,2-6H2,1H3
InChIKeyRRSSYNFTVHWTGI-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.60
Rot. Bonds5

About 1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine

1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 82712648) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID82712648
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCC(CC1CCCN1)NOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-7(5-8-3-2-4-13-8)14-15-6-9(10,11)12/h7-8,13-14H,2-6H2,1H3
InChIKeyRRSSYNFTVHWTGI-UHFFFAOYSA-N
XLogP1.60
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine (CID 82712648) is 1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine is CC(CC1CCCN1)NOCC(F)(F)F.
What is the InChIKey of 1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is RRSSYNFTVHWTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-7(5-8-3-2-4-13-8)14-15-6-9(10,11)12/h7-8,13-14H,2-6H2,1H3.
What are the key properties of 1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine?
1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 226.24 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 82712648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).