N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide

C13H21F3N2O2 — CID 45243609

IUPACN-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
SMILESCC(C)(C)CN1CC(NC(=O)CCC(F)(F)F)CC1=O
InChIInChI=1S/C13H21F3N2O2/c1-12(2,3)8-18-7-9(6-11(18)20)17-10(19)4-5-13(14,15)16/h9H,4-8H2,1-3H3,(H,17,19)
InChIKeyKIPGTCREPCQCNS-UHFFFAOYSA-N
MW294.32 g/mol
LogP2.09
Rot. Bonds4

About N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide

N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide (PubChem CID 45243609) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
PubChem CID45243609
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC NameN-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
SMILESCC(C)(C)CN1CC(NC(=O)CCC(F)(F)F)CC1=O
InChIInChI=1S/C13H21F3N2O2/c1-12(2,3)8-18-7-9(6-11(18)20)17-10(19)4-5-13(14,15)16/h9H,4-8H2,1-3H3,(H,17,19)
InChIKeyKIPGTCREPCQCNS-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide (CID 45243609) is N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide is CC(C)(C)CN1CC(NC(=O)CCC(F)(F)F)CC1=O.
What is the InChIKey of N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
The InChIKey is KIPGTCREPCQCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-12(2,3)8-18-7-9(6-11(18)20)17-10(19)4-5-13(14,15)16/h9H,4-8H2,1-3H3,(H,17,19).
What are the key properties of N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide has a molecular weight of 294.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 45243609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).