N-(2,2-difluoroethyl)-N,2-dimethylpyrrolidine-2-carboxamide

C9H16F2N2O — CID 115747592

IUPACN-(2,2-difluoroethyl)-N,2-dimethylpyrrolidine-2-carboxamide
SMILESCN(CC(F)F)C(=O)C1(C)CCCN1
InChIInChI=1S/C9H16F2N2O/c1-9(4-3-5-12-9)8(14)13(2)6-7(10)11/h7,12H,3-6H2,1-2H3
InChIKeyKOXUNTHGYFZUFU-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.85
Rot. Bonds3

About N-(2,2-difluoroethyl)-N,2-dimethylpyrrolidine-2-carboxamide

N-(2,2-difluoroethyl)-N,2-dimethylpyrrolidine-2-carboxamide (PubChem CID 115747592) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N,2-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N,2-dimethylpyrrolidine-2-carboxamide
PubChem CID115747592
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC NameN-(2,2-difluoroethyl)-N,2-dimethylpyrrolidine-2-carboxamide
SMILESCN(CC(F)F)C(=O)C1(C)CCCN1
InChIInChI=1S/C9H16F2N2O/c1-9(4-3-5-12-9)8(14)13(2)6-7(10)11/h7,12H,3-6H2,1-2H3
InChIKeyKOXUNTHGYFZUFU-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N,2-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N,2-dimethylpyrrolidine-2-carboxamide (CID 115747592) is N-(2,2-difluoroethyl)-N,2-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N,2-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N,2-dimethylpyrrolidine-2-carboxamide is CN(CC(F)F)C(=O)C1(C)CCCN1.
What is the InChIKey of N-(2,2-difluoroethyl)-N,2-dimethylpyrrolidine-2-carboxamide?
The InChIKey is KOXUNTHGYFZUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-9(4-3-5-12-9)8(14)13(2)6-7(10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N,2-dimethylpyrrolidine-2-carboxamide?
N-(2,2-difluoroethyl)-N,2-dimethylpyrrolidine-2-carboxamide has a molecular weight of 206.24 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N,2-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 115747592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).