1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide

C8H12F2N2O2 — CID 103515226

IUPAC1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(F)F
InChIInChI=1S/C8H12F2N2O2/c1-11-7(13)5-3-2-4-12(5)8(14)6(9)10/h5-6H,2-4H2,1H3,(H,11,13)
InChIKeyRTMCOGFIMYVQAQ-UHFFFAOYSA-N
MW206.19 g/mol
LogP-0.01
Rot. Bonds2

About 1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide

1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 103515226) has the molecular formula C8H12F2N2O2 and a molecular weight of 206.19 g/mol. Its IUPAC name is 1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID103515226
Molecular FormulaC8H12F2N2O2
Molecular Weight206.19 g/mol
Exact Mass206.09
IUPAC Name1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(F)F
InChIInChI=1S/C8H12F2N2O2/c1-11-7(13)5-3-2-4-12(5)8(14)6(9)10/h5-6H,2-4H2,1H3,(H,11,13)
InChIKeyRTMCOGFIMYVQAQ-UHFFFAOYSA-N
XLogP-0.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 114897714
N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
CID 107026107
N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 79202407
1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide
CID 60949285
1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60954201
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581
methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate
CID 103514360
1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide
CID 79013406
1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 120606534
(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 78922595
propan-2-yl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 116654854
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide (CID 103515226) is 1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)C(F)F.
What is the InChIKey of 1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is RTMCOGFIMYVQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O2/c1-11-7(13)5-3-2-4-12(5)8(14)6(9)10/h5-6H,2-4H2,1H3,(H,11,13).
What are the key properties of 1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide?
1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 206.19 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 103515226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).