4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one

C13H16F2N2O2 — CID 168660883

IUPAC4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ccccc2OCC(F)F)C1
InChIInChI=1S/C13H16F2N2O2/c14-12(15)8-19-11-4-2-1-3-10(11)17-7-9(6-16)5-13(17)18/h1-4,9,12H,5-8,16H2
InChIKeyHZMZMWTXRKSLKW-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.64
Rot. Bonds5

About 4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one

4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one (PubChem CID 168660883) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one
PubChem CID168660883
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ccccc2OCC(F)F)C1
InChIInChI=1S/C13H16F2N2O2/c14-12(15)8-19-11-4-2-1-3-10(11)17-7-9(6-16)5-13(17)18/h1-4,9,12H,5-8,16H2
InChIKeyHZMZMWTXRKSLKW-UHFFFAOYSA-N
XLogP1.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one
CID 168660871
4-(chloromethyl)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-2-one
CID 168509083
4-(aminomethyl)-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one
CID 168659342
4-(aminomethyl)-1-(5-fluoro-2-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 168659169
4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one
CID 168658012
4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one
CID 168661049
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
CID 168661300
1-[2-(2-methylpropoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 54792456
1-[2-(2-fluoroethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715679
4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one
CID 168661060
1-(2-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670200
1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one
CID 129259594

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one (CID 168660883) is 4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one is NCC1CC(=O)N(c2ccccc2OCC(F)F)C1.
What is the InChIKey of 4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is HZMZMWTXRKSLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-12(15)8-19-11-4-2-1-3-10(11)17-7-9(6-16)5-13(17)18/h1-4,9,12H,5-8,16H2.
What are the key properties of 4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 270.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168660883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).