5-[(4-fluorophenyl)methyl]-1,3,3-trimethylpyrrolidin-2-one

C14H18FNO — CID 3024922

IUPAC5-[(4-fluorophenyl)methyl]-1,3,3-trimethylpyrrolidin-2-one
SMILESCN1C(=O)C(C)(C)CC1Cc1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c1-14(2)9-12(16(3)13(14)17)8-10-4-6-11(15)7-5-10/h4-7,12H,8-9H2,1-3H3
InChIKeyYSTRJUBBSJLDNN-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.63
Rot. Bonds2

About 5-[(4-fluorophenyl)methyl]-1,3,3-trimethylpyrrolidin-2-one

5-[(4-fluorophenyl)methyl]-1,3,3-trimethylpyrrolidin-2-one (PubChem CID 3024922) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-1,3,3-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-1,3,3-trimethylpyrrolidin-2-one
PubChem CID3024922
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name5-[(4-fluorophenyl)methyl]-1,3,3-trimethylpyrrolidin-2-one
SMILESCN1C(=O)C(C)(C)CC1Cc1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c1-14(2)9-12(16(3)13(14)17)8-10-4-6-11(15)7-5-10/h4-7,12H,8-9H2,1-3H3
InChIKeyYSTRJUBBSJLDNN-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-1,3,3-trimethylpyrrolidin-2-one?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-1,3,3-trimethylpyrrolidin-2-one (CID 3024922) is 5-[(4-fluorophenyl)methyl]-1,3,3-trimethylpyrrolidin-2-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-1,3,3-trimethylpyrrolidin-2-one?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-1,3,3-trimethylpyrrolidin-2-one is CN1C(=O)C(C)(C)CC1Cc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-1,3,3-trimethylpyrrolidin-2-one?
The InChIKey is YSTRJUBBSJLDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-14(2)9-12(16(3)13(14)17)8-10-4-6-11(15)7-5-10/h4-7,12H,8-9H2,1-3H3.
What are the key properties of 5-[(4-fluorophenyl)methyl]-1,3,3-trimethylpyrrolidin-2-one?
5-[(4-fluorophenyl)methyl]-1,3,3-trimethylpyrrolidin-2-one has a molecular weight of 235.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-1,3,3-trimethylpyrrolidin-2-one is sourced from PubChem (CID 3024922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).