2,2,2-trifluoroethyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate

C10H15F3N2O3 — CID 9167275

IUPAC2,2,2-trifluoroethyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate
SMILESO=C(NCCCN1CCCC1=O)OCC(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)7-18-9(17)14-4-2-6-15-5-1-3-8(15)16/h1-7H2,(H,14,17)
InChIKeyUQYJGZRPKZBSNF-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.29
Rot. Bonds5

About 2,2,2-trifluoroethyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate

2,2,2-trifluoroethyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate (PubChem CID 9167275) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate
PubChem CID9167275
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2,2,2-trifluoroethyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate
SMILESO=C(NCCCN1CCCC1=O)OCC(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)7-18-9(17)14-4-2-6-15-5-1-3-8(15)16/h1-7H2,(H,14,17)
InChIKeyUQYJGZRPKZBSNF-UHFFFAOYSA-N
XLogP1.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.29
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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Related Compounds

2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86102547
Methyl [3-(2-oxopyrrolidin-1-yl)propyl]carbamate
CID 2971037
2,2,2-trifluoroethyl N-(4-amino-4-oxobutyl)carbamate
CID 53675686
[(2,2,2-Trifluoroacetyl)amino]methyl pyrrolidine-1-carboxylate
CID 142798534
Ethyl 2,2,2-trifluoroacetate;pyrrolidin-2-one
CID 174637252
butyl N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
CID 176156881
2,2,2-trifluoroethyl N-[3-(pyrrolidin-1-yl)propyl]carbamate
CID 53616781
2,2,2-trifluoroethyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 61068989
2,2,2-trifluoroethyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)carbamate
CID 61225725
2,2,2-trifluoroethyl N-(2-pyrrolidin-1-ylethyl)carbamate
CID 61567658
2-[[3-(Trifluoromethyl)pyrrolidine-3-carbonyl]amino]ethyl carbamate
CID 83210000
3,3,3-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 86922857

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate (CID 9167275) is 2,2,2-trifluoroethyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate is O=C(NCCCN1CCCC1=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate?
The InChIKey is UQYJGZRPKZBSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)7-18-9(17)14-4-2-6-15-5-1-3-8(15)16/h1-7H2,(H,14,17).
What are the key properties of 2,2,2-trifluoroethyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate?
2,2,2-trifluoroethyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate has a molecular weight of 268.23 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate is sourced from PubChem (CID 9167275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).