1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde;fluoromethane

C8H12F3NO2 — CID 144778353

IUPAC1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde;fluoromethane
SMILESCCN1C(=O)C(F)(F)CC1C=O.CF
InChIInChI=1S/C7H9F2NO2.CH3F/c1-2-10-5(4-11)3-7(8,9)6(10)12;1-2/h4-5H,2-3H2,1H3;1H3
InChIKeyCTLVGNXZHCQSHT-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.03
Rot. Bonds2

About 1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde;fluoromethane

1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde;fluoromethane (PubChem CID 144778353) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde;fluoromethane.

Molecular Properties

Compound Name1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde;fluoromethane
PubChem CID144778353
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde;fluoromethane
SMILESCCN1C(=O)C(F)(F)CC1C=O.CF
InChIInChI=1S/C7H9F2NO2.CH3F/c1-2-10-5(4-11)3-7(8,9)6(10)12;1-2/h4-5H,2-3H2,1H3;1H3
InChIKeyCTLVGNXZHCQSHT-UHFFFAOYSA-N
XLogP1.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde;fluoromethane?
The IUPAC name of 1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde;fluoromethane (CID 144778353) is 1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde;fluoromethane.
What is the SMILES notation for 1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde;fluoromethane?
The canonical SMILES for 1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde;fluoromethane is CCN1C(=O)C(F)(F)CC1C=O.CF.
What is the InChIKey of 1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde;fluoromethane?
The InChIKey is CTLVGNXZHCQSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO2.CH3F/c1-2-10-5(4-11)3-7(8,9)6(10)12;1-2/h4-5H,2-3H2,1H3;1H3.
What are the key properties of 1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde;fluoromethane?
1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde;fluoromethane has a molecular weight of 211.18 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde;fluoromethane is sourced from PubChem (CID 144778353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).