1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one

C14H18F2N2O — CID 102867991

IUPAC1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one
SMILESCC(NCc1ccc(N2CCCC2=O)cc1)C(F)F
InChIInChI=1S/C14H18F2N2O/c1-10(14(15)16)17-9-11-4-6-12(7-5-11)18-8-2-3-13(18)19/h4-7,10,14,17H,2-3,8-9H2,1H3
InChIKeyJCEKFMYAJYODAY-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.56
Rot. Bonds5

About 1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one

1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one (PubChem CID 102867991) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one
PubChem CID102867991
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one
SMILESCC(NCc1ccc(N2CCCC2=O)cc1)C(F)F
InChIInChI=1S/C14H18F2N2O/c1-10(14(15)16)17-9-11-4-6-12(7-5-11)18-8-2-3-13(18)19/h4-7,10,14,17H,2-3,8-9H2,1H3
InChIKeyJCEKFMYAJYODAY-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one
CID 43203969
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415
1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one
CID 28658925
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide
CID 64990546
1-[4-[(prop-2-ynylamino)methyl]phenyl]pyrrolidin-2-one
CID 60697157
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
2-methyl-1-(3-methylbutan-2-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111002084
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
(2S)-N,N-dimethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-2-phenylacetamide
CID 25480897
N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939268
1-[4-[(1S)-1-[(4-amino-3-nitrophenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 97258229

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one (CID 102867991) is 1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one is CC(NCc1ccc(N2CCCC2=O)cc1)C(F)F.
What is the InChIKey of 1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one?
The InChIKey is JCEKFMYAJYODAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-10(14(15)16)17-9-11-4-6-12(7-5-11)18-8-2-3-13(18)19/h4-7,10,14,17H,2-3,8-9H2,1H3.
What are the key properties of 1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one?
1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one has a molecular weight of 268.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 102867991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).