5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one

C13H16F2N2O — CID 115524016

IUPAC5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNCc2ccc(C(F)F)cc2)N1
InChIInChI=1S/C13H16F2N2O/c14-13(15)10-3-1-9(2-4-10)7-16-8-11-5-6-12(18)17-11/h1-4,11,13,16H,5-8H2,(H,17,18)
InChIKeyFDVUGVPRNKWTKJ-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.99
Rot. Bonds5

About 5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one

5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one (PubChem CID 115524016) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one
PubChem CID115524016
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNCc2ccc(C(F)F)cc2)N1
InChIInChI=1S/C13H16F2N2O/c14-13(15)10-3-1-9(2-4-10)7-16-8-11-5-6-12(18)17-11/h1-4,11,13,16H,5-8H2,(H,17,18)
InChIKeyFDVUGVPRNKWTKJ-UHFFFAOYSA-N
XLogP1.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one
CID 60727360
5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one
CID 60727440
5-[(1,3-benzodioxol-5-ylmethylamino)methyl]pyrrolidin-2-one
CID 60727716
5-[[[3-bromo-4-(trifluoromethoxy)phenyl]methylamino]methyl]pyrrolidin-2-one
CID 107342374
5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one
CID 60726637
5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]pyrrolidin-2-one
CID 107529441
5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 103254265
N-[[4-(difluoromethyl)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411764
3-[[4-(difluoromethyl)phenyl]methylamino]-1-methylpiperidine-2,6-dione
CID 115524066
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807
5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one
CID 171489768
5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one
CID 107529578

Frequently Asked Questions

What is the IUPAC name of 5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one (CID 115524016) is 5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one is O=C1CCC(CNCc2ccc(C(F)F)cc2)N1.
What is the InChIKey of 5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one?
The InChIKey is FDVUGVPRNKWTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-13(15)10-3-1-9(2-4-10)7-16-8-11-5-6-12(18)17-11/h1-4,11,13,16H,5-8H2,(H,17,18).
What are the key properties of 5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one?
5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one has a molecular weight of 254.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 115524016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).