2-chloro-N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide

C10H16ClF3N2O — CID 146105333

IUPAC2-chloro-N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
SMILESCCN(C(=O)CCl)C1CCN(CC(F)(F)F)C1
InChIInChI=1S/C10H16ClF3N2O/c1-2-16(9(17)5-11)8-3-4-15(6-8)7-10(12,13)14/h8H,2-7H2,1H3
InChIKeyVHBHGVRTLANIAS-UHFFFAOYSA-N
MW272.70 g/mol
LogP1.71
Rot. Bonds4

About 2-chloro-N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide

2-chloro-N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide (PubChem CID 146105333) has the molecular formula C10H16ClF3N2O and a molecular weight of 272.70 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
PubChem CID146105333
Molecular FormulaC10H16ClF3N2O
Molecular Weight272.70 g/mol
Exact Mass272.09
IUPAC Name2-chloro-N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
SMILESCCN(C(=O)CCl)C1CCN(CC(F)(F)F)C1
InChIInChI=1S/C10H16ClF3N2O/c1-2-16(9(17)5-11)8-3-4-15(6-8)7-10(12,13)14/h8H,2-7H2,1H3
InChIKeyVHBHGVRTLANIAS-UHFFFAOYSA-N
XLogP1.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 66565746
2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 50989385
N-ethyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]acetamide
CID 66567335
N-ethyl-N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetamide
CID 104926671
N-ethyl-N-(1-ethylpyrrolidin-3-yl)-2-methylpropanamide
CID 22954158
(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122495210
1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde
CID 84657695
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 60855135
2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
CID 166529361
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855134
tert-butyl N-[4-[(2-chloroacetyl)-ethylamino]cyclohexyl]carbamate
CID 66564667
N-ethyl-2-(4-methylsulfonylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 70680969

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-chloro-N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide (CID 146105333) is 2-chloro-N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-chloro-N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide is CCN(C(=O)CCl)C1CCN(CC(F)(F)F)C1.
What is the InChIKey of 2-chloro-N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is VHBHGVRTLANIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF3N2O/c1-2-16(9(17)5-11)8-3-4-15(6-8)7-10(12,13)14/h8H,2-7H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
2-chloro-N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 272.70 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 146105333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).