2,2-difluoro-N-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)acetamide

C12H22F2N2O — CID 167340101

IUPAC2,2-difluoro-N-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)acetamide
SMILESCC(C)NC(=O)C(F)(F)C1CCN(C(C)C)C1
InChIInChI=1S/C12H22F2N2O/c1-8(2)15-11(17)12(13,14)10-5-6-16(7-10)9(3)4/h8-10H,5-7H2,1-4H3,(H,15,17)
InChIKeyFGFCFOOWHCQGHB-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.88
Rot. Bonds4

About 2,2-difluoro-N-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)acetamide

2,2-difluoro-N-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)acetamide (PubChem CID 167340101) has the molecular formula C12H22F2N2O and a molecular weight of 248.32 g/mol. Its IUPAC name is 2,2-difluoro-N-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)acetamide
PubChem CID167340101
Molecular FormulaC12H22F2N2O
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name2,2-difluoro-N-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)acetamide
SMILESCC(C)NC(=O)C(F)(F)C1CCN(C(C)C)C1
InChIInChI=1S/C12H22F2N2O/c1-8(2)15-11(17)12(13,14)10-5-6-16(7-10)9(3)4/h8-10H,5-7H2,1-4H3,(H,15,17)
InChIKeyFGFCFOOWHCQGHB-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)acetamide (CID 167340101) is 2,2-difluoro-N-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)acetamide is CC(C)NC(=O)C(F)(F)C1CCN(C(C)C)C1.
What is the InChIKey of 2,2-difluoro-N-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)acetamide?
The InChIKey is FGFCFOOWHCQGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O/c1-8(2)15-11(17)12(13,14)10-5-6-16(7-10)9(3)4/h8-10H,5-7H2,1-4H3,(H,15,17).
What are the key properties of 2,2-difluoro-N-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)acetamide?
2,2-difluoro-N-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)acetamide has a molecular weight of 248.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 167340101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).