5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one

C12H20F2N2O — CID 114223835

IUPAC5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNCC2CCCC(F)(F)C2)N1
InChIInChI=1S/C12H20F2N2O/c13-12(14)5-1-2-9(6-12)7-15-8-10-3-4-11(17)16-10/h9-10,15H,1-8H2,(H,16,17)
InChIKeyCGSLWEMFALQVGO-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.68
Rot. Bonds4

About 5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one

5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one (PubChem CID 114223835) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is 5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one
PubChem CID114223835
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNCC2CCCC(F)(F)C2)N1
InChIInChI=1S/C12H20F2N2O/c13-12(14)5-1-2-9(6-12)7-15-8-10-3-4-11(17)16-10/h9-10,15H,1-8H2,(H,16,17)
InChIKeyCGSLWEMFALQVGO-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807
N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine
CID 114223826
3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol
CID 114224003
5-[[(1-methylcyclobutyl)amino]methyl]pyrrolidin-2-one
CID 107530010
5-[(2-cyclopropylpropylamino)methyl]pyrrolidin-2-one
CID 107529963
5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one
CID 107529310
2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide
CID 114223910
5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]pyrrolidin-2-one
CID 107529723
5-[(2,2-dicyclopropylethylamino)methyl]pyrrolidin-2-one
CID 107529578
5-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]pyrrolidin-2-one
CID 103829234
N-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 114223863
1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine
CID 114223968

Frequently Asked Questions

What is the IUPAC name of 5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one (CID 114223835) is 5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one is O=C1CCC(CNCC2CCCC(F)(F)C2)N1.
What is the InChIKey of 5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one?
The InChIKey is CGSLWEMFALQVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O/c13-12(14)5-1-2-9(6-12)7-15-8-10-3-4-11(17)16-10/h9-10,15H,1-8H2,(H,16,17).
What are the key properties of 5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one?
5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one has a molecular weight of 246.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 114223835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).