4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one

C14H18FNO — CID 58945362

IUPAC4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
SMILESCC(F)C1CC(=O)N([C@H](C)c2ccccc2)C1
InChIInChI=1S/C14H18FNO/c1-10(15)13-8-14(17)16(9-13)11(2)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3/t10?,11-,13?/m1/s1
InChIKeyXTNFPVJHOHXQRM-QWKFWESOSA-N
MW235.30 g/mol
LogP2.95
Rot. Bonds3

About 4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one

4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one (PubChem CID 58945362) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
PubChem CID58945362
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
SMILESCC(F)C1CC(=O)N([C@H](C)c2ccccc2)C1
InChIInChI=1S/C14H18FNO/c1-10(15)13-8-14(17)16(9-13)11(2)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3/t10?,11-,13?/m1/s1
InChIKeyXTNFPVJHOHXQRM-QWKFWESOSA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(1S)-1-aminoethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 118476453
4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 66713329
4-(1-aminoethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 54042387
4-[azido(phenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 22633922
(4R)-4-(1-hydroxy-3-methoxypropyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 58072031
2,2,2-trifluoro-N-methyl-N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]acetamide
CID 18654610
4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 53382448
(4S)-4-(bromomethyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 24813930
(4R)-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 10263949
tert-butyl N-[(1S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10314722
tert-butyl N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10065360
tert-butyl N-[(1R)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10314721

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of 4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one (CID 58945362) is 4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one is CC(F)C1CC(=O)N([C@H](C)c2ccccc2)C1.
What is the InChIKey of 4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is XTNFPVJHOHXQRM-QWKFWESOSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10(15)13-8-14(17)16(9-13)11(2)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3/t10?,11-,13?/m1/s1.
What are the key properties of 4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 235.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 58945362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).