1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one

C14H17F2NO — CID 141420568

IUPAC1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one
SMILESC[C@@H](C(F)F)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C14H17F2NO/c1-10(14(15)16)12-7-13(18)17(9-12)8-11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3/t10-,12?/m1/s1
InChIKeyOZYSAAZQFTYTAK-RWANSRKNSA-N
MW253.29 g/mol
LogP2.94
Rot. Bonds4

About 1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one

1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one (PubChem CID 141420568) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one
PubChem CID141420568
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one
SMILESC[C@@H](C(F)F)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C14H17F2NO/c1-10(14(15)16)12-7-13(18)17(9-12)8-11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3/t10-,12?/m1/s1
InChIKeyOZYSAAZQFTYTAK-RWANSRKNSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(1S)-1-amino-2-methoxyethyl]-1-benzylpyrrolidin-2-one
CID 139782002
(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one
CID 171430314
1-[(4-chlorophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 23588935
(5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one
CID 122231032
1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512318
1-[(4-benzylphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 22292958
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
(4S)-1-benzyl-4-[(1S)-1,2-dihydroxyethyl]pyrrolidin-2-one;(3S)-1-benzyl-5-oxopyrrolidine-3-carbaldehyde
CID 157458587
(6R)-4-benzyl-6-[(1R)-1-hydroxyethyl]thiomorpholin-3-one
CID 102317833
(4aS,8aS)-2-benzyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-3-one
CID 10490446
4-(1-phenylethyl)-1-propylpyrrolidin-2-one
CID 123830048
2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide
CID 139763375

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one (CID 141420568) is 1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one is C[C@@H](C(F)F)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one?
The InChIKey is OZYSAAZQFTYTAK-RWANSRKNSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-10(14(15)16)12-7-13(18)17(9-12)8-11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3/t10-,12?/m1/s1.
What are the key properties of 1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one?
1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one has a molecular weight of 253.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 141420568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).