1-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]ethyl formate

C8H10F3NO3 — CID 174833952

IUPAC1-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]ethyl formate
SMILESCC(OC=O)N1CC(C(F)(F)F)CC1=O
InChIInChI=1S/C8H10F3NO3/c1-5(15-4-13)12-3-6(2-7(12)14)8(9,10)11/h4-6H,2-3H2,1H3
InChIKeyKUDPVOPUGMIBFY-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.92
Rot. Bonds3

About 1-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]ethyl formate

1-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]ethyl formate (PubChem CID 174833952) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 1-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]ethyl formate.

Molecular Properties

Compound Name1-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]ethyl formate
PubChem CID174833952
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name1-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]ethyl formate
SMILESCC(OC=O)N1CC(C(F)(F)F)CC1=O
InChIInChI=1S/C8H10F3NO3/c1-5(15-4-13)12-3-6(2-7(12)14)8(9,10)11/h4-6H,2-3H2,1H3
InChIKeyKUDPVOPUGMIBFY-UHFFFAOYSA-N
XLogP0.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]ethyl formate?
The IUPAC name of 1-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]ethyl formate (CID 174833952) is 1-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]ethyl formate.
What is the SMILES notation for 1-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]ethyl formate?
The canonical SMILES for 1-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]ethyl formate is CC(OC=O)N1CC(C(F)(F)F)CC1=O.
What is the InChIKey of 1-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]ethyl formate?
The InChIKey is KUDPVOPUGMIBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c1-5(15-4-13)12-3-6(2-7(12)14)8(9,10)11/h4-6H,2-3H2,1H3.
What are the key properties of 1-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]ethyl formate?
1-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]ethyl formate has a molecular weight of 225.17 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]ethyl formate is sourced from PubChem (CID 174833952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).