N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]prop-2-enamide

C10H15F3N2O — CID 60856487

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O/c1-2-9(16)14-5-8-3-4-15(6-8)7-10(11,12)13/h2,8H,1,3-7H2,(H,14,16)
InChIKeyBJTUDPAAJKJISX-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.17
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]prop-2-enamide

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]prop-2-enamide (PubChem CID 60856487) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]prop-2-enamide
PubChem CID60856487
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O/c1-2-9(16)14-5-8-3-4-15(6-8)7-10(11,12)13/h2,8H,1,3-7H2,(H,14,16)
InChIKeyBJTUDPAAJKJISX-UHFFFAOYSA-N
XLogP1.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]prop-2-enamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]prop-2-enamide (CID 60856487) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]prop-2-enamide is C=CC(=O)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]prop-2-enamide?
The InChIKey is BJTUDPAAJKJISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-2-9(16)14-5-8-3-4-15(6-8)7-10(11,12)13/h2,8H,1,3-7H2,(H,14,16).
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]prop-2-enamide?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]prop-2-enamide has a molecular weight of 236.24 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]prop-2-enamide is sourced from PubChem (CID 60856487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).