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

C13H16FNO — CID 10489170

IUPAC(4R)-4-(fluoromethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
SMILESC[C@H](c1ccccc1)N1C[C@H](CF)CC1=O
InChIInChI=1S/C13H16FNO/c1-10(12-5-3-2-4-6-12)15-9-11(8-14)7-13(15)16/h2-6,10-11H,7-9H2,1H3/t10-,11+/m1/s1
InChIKeyLOSHCCKMXMTECP-MNOVXSKESA-N
MW221.28 g/mol
LogP2.57
Rot. Bonds3

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

(4R)-4-(fluoromethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one (PubChem CID 10489170) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is (4R)-4-(fluoromethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(fluoromethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
PubChem CID10489170
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name(4R)-4-(fluoromethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
SMILESC[C@H](c1ccccc1)N1C[C@H](CF)CC1=O
InChIInChI=1S/C13H16FNO/c1-10(12-5-3-2-4-6-12)15-9-11(8-14)7-13(15)16/h2-6,10-11H,7-9H2,1H3/t10-,11+/m1/s1
InChIKeyLOSHCCKMXMTECP-MNOVXSKESA-N
XLogP2.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(fluoromethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-(fluoromethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one (CID 10489170) is (4R)-4-(fluoromethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(fluoromethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(fluoromethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one is C[C@H](c1ccccc1)N1C[C@H](CF)CC1=O.
What is the InChIKey of (4R)-4-(fluoromethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is LOSHCCKMXMTECP-MNOVXSKESA-N. The full InChI is InChI=1S/C13H16FNO/c1-10(12-5-3-2-4-6-12)15-9-11(8-14)7-13(15)16/h2-6,10-11H,7-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of (4R)-4-(fluoromethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
(4R)-4-(fluoromethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 221.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(fluoromethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 10489170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).