1-(trifluoromethyl)pyrrolidin-2-one

C5H6F3NO — CID 22572621

IUPAC1-(trifluoromethyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(F)(F)F
InChIInChI=1S/C5H6F3NO/c6-5(7,8)9-3-1-2-4(9)10/h1-3H2
InChIKeyAGXDJDIZLGULEJ-UHFFFAOYSA-N
MW153.10 g/mol
LogP1.13
Rot. Bonds

About 1-(trifluoromethyl)pyrrolidin-2-one

1-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 22572621) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is 1-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(trifluoromethyl)pyrrolidin-2-one
PubChem CID22572621
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name1-(trifluoromethyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(F)(F)F
InChIInChI=1S/C5H6F3NO/c6-5(7,8)9-3-1-2-4(9)10/h1-3H2
InChIKeyAGXDJDIZLGULEJ-UHFFFAOYSA-N
XLogP1.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-(trifluoromethyl)pyrrolidin-2-one (CID 22572621) is 1-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(trifluoromethyl)pyrrolidin-2-one is O=C1CCCN1C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is AGXDJDIZLGULEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c6-5(7,8)9-3-1-2-4(9)10/h1-3H2.
What are the key properties of 1-(trifluoromethyl)pyrrolidin-2-one?
1-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 153.10 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 22572621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).