2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide

C7H12F2N2O — CID 131131747

IUPAC2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)N[C@H]1CCNC1
InChIInChI=1S/C7H12F2N2O/c1-7(8,9)6(12)11-5-2-3-10-4-5/h5,10H,2-4H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyBDZKIQYBNSOLJW-YFKPBYRVSA-N
MW178.18 g/mol
LogP0.12
Rot. Bonds2

About 2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide

2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide (PubChem CID 131131747) has the molecular formula C7H12F2N2O and a molecular weight of 178.18 g/mol. Its IUPAC name is 2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide
PubChem CID131131747
Molecular FormulaC7H12F2N2O
Molecular Weight178.18 g/mol
Exact Mass178.09
IUPAC Name2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(F)(F)C(=O)N[C@H]1CCNC1
InChIInChI=1S/C7H12F2N2O/c1-7(8,9)6(12)11-5-2-3-10-4-5/h5,10H,2-4H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyBDZKIQYBNSOLJW-YFKPBYRVSA-N
XLogP0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 58468710
sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 161088064
2,2-difluoro-N-(4-methylpiperidin-3-yl)propanamide
CID 131048531
3,3,3-trifluoro-2-methyl-N-pyrrolidin-3-ylpropanamide
CID 119449946
1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468
2-methyl-2-phenyl-N-pyrrolidin-3-ylpropanamide
CID 43603539
2,2,3,3-tetrafluoro-N-piperidin-3-ylpropanamide
CID 103805389
2-(4-bromophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide
CID 119454206
2,2-difluoro-N-(4-oxocyclohexyl)propanamide
CID 131072178
N-[(3R)-pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 166513683
N-(azetidin-3-yl)-2,2-dimethylpropanamide
CID 58468718
pyrrolidin-3-ylcarbamic acid;hydrochloride
CID 141142005

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide (CID 131131747) is 2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide is CC(F)(F)C(=O)N[C@H]1CCNC1.
What is the InChIKey of 2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide?
The InChIKey is BDZKIQYBNSOLJW-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12F2N2O/c1-7(8,9)6(12)11-5-2-3-10-4-5/h5,10H,2-4H2,1H3,(H,11,12)/t5-/m0/s1.
What are the key properties of 2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide?
2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide has a molecular weight of 178.18 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 131131747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).