1-(3,3,3-trifluoropropyl)pyrrolidin-3-one

C7H10F3NO — CID 63227353

IUPAC1-(3,3,3-trifluoropropyl)pyrrolidin-3-one
SMILESO=C1CCN(CCC(F)(F)F)C1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)2-4-11-3-1-6(12)5-11/h1-5H2
InChIKeyDSAGMSZTCAKJBN-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.21
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)pyrrolidin-3-one

1-(3,3,3-trifluoropropyl)pyrrolidin-3-one (PubChem CID 63227353) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)pyrrolidin-3-one
PubChem CID63227353
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name1-(3,3,3-trifluoropropyl)pyrrolidin-3-one
SMILESO=C1CCN(CCC(F)(F)F)C1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)2-4-11-3-1-6(12)5-11/h1-5H2
InChIKeyDSAGMSZTCAKJBN-UHFFFAOYSA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)pyrrolidin-3-one?
The IUPAC name of 1-(3,3,3-trifluoropropyl)pyrrolidin-3-one (CID 63227353) is 1-(3,3,3-trifluoropropyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)pyrrolidin-3-one?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)pyrrolidin-3-one is O=C1CCN(CCC(F)(F)F)C1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)pyrrolidin-3-one?
The InChIKey is DSAGMSZTCAKJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-7(9,10)2-4-11-3-1-6(12)5-11/h1-5H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)pyrrolidin-3-one?
1-(3,3,3-trifluoropropyl)pyrrolidin-3-one has a molecular weight of 181.16 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)pyrrolidin-3-one is sourced from PubChem (CID 63227353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).