N-ethyl-3,3-difluoropyrrolidine-1-carboxamide

C7H12F2N2O — CID 122269284

IUPACN-ethyl-3,3-difluoropyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C7H12F2N2O/c1-2-10-6(12)11-4-3-7(8,9)5-11/h2-5H2,1H3,(H,10,12)
InChIKeyQNOLFXYOZNTYOF-UHFFFAOYSA-N
MW178.18 g/mol
LogP1.06
Rot. Bonds1

About N-ethyl-3,3-difluoropyrrolidine-1-carboxamide

N-ethyl-3,3-difluoropyrrolidine-1-carboxamide (PubChem CID 122269284) has the molecular formula C7H12F2N2O and a molecular weight of 178.18 g/mol. Its IUPAC name is N-ethyl-3,3-difluoropyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,3-difluoropyrrolidine-1-carboxamide
PubChem CID122269284
Molecular FormulaC7H12F2N2O
Molecular Weight178.18 g/mol
Exact Mass178.09
IUPAC NameN-ethyl-3,3-difluoropyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C7H12F2N2O/c1-2-10-6(12)11-4-3-7(8,9)5-11/h2-5H2,1H3,(H,10,12)
InChIKeyQNOLFXYOZNTYOF-UHFFFAOYSA-N
XLogP1.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-difluoropyrrolidine-1-carboxamide?
The IUPAC name of N-ethyl-3,3-difluoropyrrolidine-1-carboxamide (CID 122269284) is N-ethyl-3,3-difluoropyrrolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3,3-difluoropyrrolidine-1-carboxamide?
The canonical SMILES for N-ethyl-3,3-difluoropyrrolidine-1-carboxamide is CCNC(=O)N1CCC(F)(F)C1.
What is the InChIKey of N-ethyl-3,3-difluoropyrrolidine-1-carboxamide?
The InChIKey is QNOLFXYOZNTYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O/c1-2-10-6(12)11-4-3-7(8,9)5-11/h2-5H2,1H3,(H,10,12).
What are the key properties of N-ethyl-3,3-difluoropyrrolidine-1-carboxamide?
N-ethyl-3,3-difluoropyrrolidine-1-carboxamide has a molecular weight of 178.18 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-difluoropyrrolidine-1-carboxamide is sourced from PubChem (CID 122269284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).