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

C11H17F3N2O — CID 146106051

IUPACN-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]prop-2-enamide
SMILESC=CC(=O)N(CC)C1CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O/c1-3-10(17)16(4-2)9-5-6-15(7-9)8-11(12,13)14/h3,9H,1,4-8H2,2H3
InChIKeyPKTOXIQHKSHTIH-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.66
Rot. Bonds4

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

N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]prop-2-enamide (PubChem CID 146106051) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]prop-2-enamide
PubChem CID146106051
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC NameN-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]prop-2-enamide
SMILESC=CC(=O)N(CC)C1CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O/c1-3-10(17)16(4-2)9-5-6-15(7-9)8-11(12,13)14/h3,9H,1,4-8H2,2H3
InChIKeyPKTOXIQHKSHTIH-UHFFFAOYSA-N
XLogP1.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
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-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]prop-2-enamide?
The IUPAC name of N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]prop-2-enamide (CID 146106051) is N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]prop-2-enamide?
The canonical SMILES for N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]prop-2-enamide is C=CC(=O)N(CC)C1CCN(CC(F)(F)F)C1.
What is the InChIKey of N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]prop-2-enamide?
The InChIKey is PKTOXIQHKSHTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-3-10(17)16(4-2)9-5-6-15(7-9)8-11(12,13)14/h3,9H,1,4-8H2,2H3.
What are the key properties of N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]prop-2-enamide?
N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]prop-2-enamide has a molecular weight of 250.26 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]prop-2-enamide is sourced from PubChem (CID 146106051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).