2-chloro-2,2-difluoro-N-(1-methylpyrrolidin-3-yl)acetamide

C7H11ClF2N2O — CID 127002277

IUPAC2-chloro-2,2-difluoro-N-(1-methylpyrrolidin-3-yl)acetamide
SMILESCN1CCC(NC(=O)C(F)(F)Cl)C1
InChIInChI=1S/C7H11ClF2N2O/c1-12-3-2-5(4-12)11-6(13)7(8,9)10/h5H,2-4H2,1H3,(H,11,13)
InChIKeyDXSALJZTUOQBDI-UHFFFAOYSA-N
MW212.63 g/mol
LogP0.64
Rot. Bonds2

About 2-chloro-2,2-difluoro-N-(1-methylpyrrolidin-3-yl)acetamide

2-chloro-2,2-difluoro-N-(1-methylpyrrolidin-3-yl)acetamide (PubChem CID 127002277) has the molecular formula C7H11ClF2N2O and a molecular weight of 212.63 g/mol. Its IUPAC name is 2-chloro-2,2-difluoro-N-(1-methylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-2,2-difluoro-N-(1-methylpyrrolidin-3-yl)acetamide
PubChem CID127002277
Molecular FormulaC7H11ClF2N2O
Molecular Weight212.63 g/mol
Exact Mass212.05
IUPAC Name2-chloro-2,2-difluoro-N-(1-methylpyrrolidin-3-yl)acetamide
SMILESCN1CCC(NC(=O)C(F)(F)Cl)C1
InChIInChI=1S/C7H11ClF2N2O/c1-12-3-2-5(4-12)11-6(13)7(8,9)10/h5H,2-4H2,1H3,(H,11,13)
InChIKeyDXSALJZTUOQBDI-UHFFFAOYSA-N
XLogP0.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Trifluoroacetamido)pyrrolidine Hydrochloride
CID 2760698
(3R)-(+)-3-(Trifluoroacetamido)pyrrolidine Hydrochloride
CID 42614570
AC1Odwrv
CID 7022081
(3S)-(-)-3-(Trifluoroacetamido)pyrrolidine Hydrochloride
CID 42614571
1-(3-Amino-4-fluoropyrrolidin-1-yl)ethan-1-one hydrochloride
CID 165987690
N-[(3R)-4,4-difluoropyrrolidin-3-yl]-2,2,2-trifluoroacetamide hydrochloride
CID 167735759
2,2,2-Trifluoro-N-(pyrrolidin-3-YL)acetamide
CID 537575
2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 7015587
(S)-1-(3-aminopyrrolidin-1-yl)-2,2,2-trifluoroethanone
CID 10845131
2,2,2-trifluoro-N-methyl-N-pyrrolidin-3-ylacetamide
CID 13401976
2,2,2-trifluoro-N-(1-methylpyrrolidin-3-yl)acetamide
CID 18723029
2,2,2-trifluoro-N-(4-methylpyrrolidin-3-yl)acetamide;hydrochloride
CID 19429312

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-difluoro-N-(1-methylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2-chloro-2,2-difluoro-N-(1-methylpyrrolidin-3-yl)acetamide (CID 127002277) is 2-chloro-2,2-difluoro-N-(1-methylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-chloro-2,2-difluoro-N-(1-methylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-chloro-2,2-difluoro-N-(1-methylpyrrolidin-3-yl)acetamide is CN1CCC(NC(=O)C(F)(F)Cl)C1.
What is the InChIKey of 2-chloro-2,2-difluoro-N-(1-methylpyrrolidin-3-yl)acetamide?
The InChIKey is DXSALJZTUOQBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClF2N2O/c1-12-3-2-5(4-12)11-6(13)7(8,9)10/h5H,2-4H2,1H3,(H,11,13).
What are the key properties of 2-chloro-2,2-difluoro-N-(1-methylpyrrolidin-3-yl)acetamide?
2-chloro-2,2-difluoro-N-(1-methylpyrrolidin-3-yl)acetamide has a molecular weight of 212.63 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoro-N-(1-methylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 127002277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).