2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide

C10H15F3N2O2 — CID 22387089

IUPAC2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(CC(F)(F)F)CC1=O
InChIInChI=1S/C10H15F3N2O2/c1-2-7(9(14)17)15-5-6(3-8(15)16)4-10(11,12)13/h6-7H,2-5H2,1H3,(H2,14,17)
InChIKeyHXHWXTUDNVHGOW-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.05
Rot. Bonds4

About 2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide

2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide (PubChem CID 22387089) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide
PubChem CID22387089
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(CC(F)(F)F)CC1=O
InChIInChI=1S/C10H15F3N2O2/c1-2-7(9(14)17)15-5-6(3-8(15)16)4-10(11,12)13/h6-7H,2-5H2,1H3,(H2,14,17)
InChIKeyHXHWXTUDNVHGOW-UHFFFAOYSA-N
XLogP1.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide?
The IUPAC name of 2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide (CID 22387089) is 2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide.
What is the SMILES notation for 2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide?
The canonical SMILES for 2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide is CCC(C(N)=O)N1CC(CC(F)(F)F)CC1=O.
What is the InChIKey of 2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide?
The InChIKey is HXHWXTUDNVHGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-2-7(9(14)17)15-5-6(3-8(15)16)4-10(11,12)13/h6-7H,2-5H2,1H3,(H2,14,17).
What are the key properties of 2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide?
2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide has a molecular weight of 252.24 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide is sourced from PubChem (CID 22387089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).