(2S)-4,4-difluoro-1-propanoylpyrrolidine-2-carboxamide

C8H12F2N2O2 — CID 162587125

IUPAC(2S)-4,4-difluoro-1-propanoylpyrrolidine-2-carboxamide
SMILESCCC(=O)N1CC(F)(F)C[C@H]1C(N)=O
InChIInChI=1S/C8H12F2N2O2/c1-2-6(13)12-4-8(9,10)3-5(12)7(11)14/h5H,2-4H2,1H3,(H2,11,14)/t5-/m0/s1
InChIKeyXIUDKCLYGXZOSO-YFKPBYRVSA-N
MW206.19 g/mol
LogP0.12
Rot. Bonds2

About (2S)-4,4-difluoro-1-propanoylpyrrolidine-2-carboxamide

(2S)-4,4-difluoro-1-propanoylpyrrolidine-2-carboxamide (PubChem CID 162587125) has the molecular formula C8H12F2N2O2 and a molecular weight of 206.19 g/mol. Its IUPAC name is (2S)-4,4-difluoro-1-propanoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4,4-difluoro-1-propanoylpyrrolidine-2-carboxamide
PubChem CID162587125
Molecular FormulaC8H12F2N2O2
Molecular Weight206.19 g/mol
Exact Mass206.09
IUPAC Name(2S)-4,4-difluoro-1-propanoylpyrrolidine-2-carboxamide
SMILESCCC(=O)N1CC(F)(F)C[C@H]1C(N)=O
InChIInChI=1S/C8H12F2N2O2/c1-2-6(13)12-4-8(9,10)3-5(12)7(11)14/h5H,2-4H2,1H3,(H2,11,14)/t5-/m0/s1
InChIKeyXIUDKCLYGXZOSO-YFKPBYRVSA-N
XLogP0.12
TPSA63.40 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 ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-acetyl-4,4-difluoropyrrolidin-2-yl)ethanone
CID 21015975
benzyl (2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carboxylate
CID 58786847
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
4-hydroxy-1-propanoylpyrrolidine-2-carboxamide
CID 64591082
1-propanoylpiperidine-2-carboxamide
CID 60717244
2-acetyl-4,4-difluoropyrrolidine-1-carboxylic acid
CID 174189890
1-O-tert-butyl 2-O-ethyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate
CID 91825949
1-[2-[4-[2-(2-carboxy-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]phenyl]acetyl]-4,4-difluoropyrrolidine-2-carboxylic acid
CID 22717183
hexane;1-propanoylpyrrolidine-2-carboxamide
CID 145081493
tert-butyl N-[(2S)-2-[(2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carbonyl]pyrrolidin-1-yl]carbamate
CID 68707477
4,4-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 174906357
2-carbamoyl-4,4-dimethylpyrrolidine-1-carboxylic acid
CID 90203134

Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-difluoro-1-propanoylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-4,4-difluoro-1-propanoylpyrrolidine-2-carboxamide (CID 162587125) is (2S)-4,4-difluoro-1-propanoylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-4,4-difluoro-1-propanoylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-4,4-difluoro-1-propanoylpyrrolidine-2-carboxamide is CCC(=O)N1CC(F)(F)C[C@H]1C(N)=O.
What is the InChIKey of (2S)-4,4-difluoro-1-propanoylpyrrolidine-2-carboxamide?
The InChIKey is XIUDKCLYGXZOSO-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12F2N2O2/c1-2-6(13)12-4-8(9,10)3-5(12)7(11)14/h5H,2-4H2,1H3,(H2,11,14)/t5-/m0/s1.
What are the key properties of (2S)-4,4-difluoro-1-propanoylpyrrolidine-2-carboxamide?
(2S)-4,4-difluoro-1-propanoylpyrrolidine-2-carboxamide has a molecular weight of 206.19 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-difluoro-1-propanoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 162587125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).