3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide

C9H16F2N2O — CID 164555892

IUPAC3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C9H16F2N2O/c1-7(2)5-12-8(14)13-4-3-9(10,11)6-13/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyZXRLSHSPALJCJK-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.69
Rot. Bonds2

About 3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide

3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide (PubChem CID 164555892) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
PubChem CID164555892
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C9H16F2N2O/c1-7(2)5-12-8(14)13-4-3-9(10,11)6-13/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyZXRLSHSPALJCJK-UHFFFAOYSA-N
XLogP1.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 128659331
3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane
CID 164555762
3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide
CID 118330204
3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63146127
N-[(2R)-2,3-dimethyl-4-phenylbutyl]-3,3-difluoropyrrolidine-1-carboxamide
CID 143013041
(5R)-N-(2-methylpropyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97374304
3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 63137697
N-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide
CID 23963068
(3S)-3-[[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 103357069
ethane;3-(2-hydroxypropan-2-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 164556104
5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 103357258
3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256418

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide (CID 164555892) is 3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide is CC(C)CNC(=O)N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is ZXRLSHSPALJCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-7(2)5-12-8(14)13-4-3-9(10,11)6-13/h7H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 206.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 164555892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).