1-(2,2,3,4,4,4-hexafluorobutyl)pyrrolidin-2-one

C8H9F6NO — CID 154384830

IUPAC1-(2,2,3,4,4,4-hexafluorobutyl)pyrrolidin-2-one
SMILESO=C1CCCN1CC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H9F6NO/c9-6(8(12,13)14)7(10,11)4-15-3-1-2-5(15)16/h6H,1-4H2
InChIKeyLYQBNGPWHVKSLV-UHFFFAOYSA-N
MW249.15 g/mol
LogP2.14
Rot. Bonds3

About 1-(2,2,3,4,4,4-hexafluorobutyl)pyrrolidin-2-one

1-(2,2,3,4,4,4-hexafluorobutyl)pyrrolidin-2-one (PubChem CID 154384830) has the molecular formula C8H9F6NO and a molecular weight of 249.15 g/mol. Its IUPAC name is 1-(2,2,3,4,4,4-hexafluorobutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,2,3,4,4,4-hexafluorobutyl)pyrrolidin-2-one
PubChem CID154384830
Molecular FormulaC8H9F6NO
Molecular Weight249.15 g/mol
Exact Mass249.06
IUPAC Name1-(2,2,3,4,4,4-hexafluorobutyl)pyrrolidin-2-one
SMILESO=C1CCCN1CC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C8H9F6NO/c9-6(8(12,13)14)7(10,11)4-15-3-1-2-5(15)16/h6H,1-4H2
InChIKeyLYQBNGPWHVKSLV-UHFFFAOYSA-N
XLogP2.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,4,4,4-hexafluorobutyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,2,3,4,4,4-hexafluorobutyl)pyrrolidin-2-one (CID 154384830) is 1-(2,2,3,4,4,4-hexafluorobutyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,2,3,4,4,4-hexafluorobutyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,2,3,4,4,4-hexafluorobutyl)pyrrolidin-2-one is O=C1CCCN1CC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1-(2,2,3,4,4,4-hexafluorobutyl)pyrrolidin-2-one?
The InChIKey is LYQBNGPWHVKSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6NO/c9-6(8(12,13)14)7(10,11)4-15-3-1-2-5(15)16/h6H,1-4H2.
What are the key properties of 1-(2,2,3,4,4,4-hexafluorobutyl)pyrrolidin-2-one?
1-(2,2,3,4,4,4-hexafluorobutyl)pyrrolidin-2-one has a molecular weight of 249.15 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,4,4,4-hexafluorobutyl)pyrrolidin-2-one is sourced from PubChem (CID 154384830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).