5-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidin-2-one

C9H15F2NO — CID 123325633

IUPAC5-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidin-2-one
SMILESCCC1CC(F)(F)C(=O)N1C(C)C
InChIInChI=1S/C9H15F2NO/c1-4-7-5-9(10,11)8(13)12(7)6(2)3/h6-7H,4-5H2,1-3H3
InChIKeyMQXKQZLMHQXIGI-UHFFFAOYSA-N
MW191.22 g/mol
LogP2.04
Rot. Bonds2

About 5-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidin-2-one

5-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidin-2-one (PubChem CID 123325633) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 5-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidin-2-one
PubChem CID123325633
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name5-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidin-2-one
SMILESCCC1CC(F)(F)C(=O)N1C(C)C
InChIInChI=1S/C9H15F2NO/c1-4-7-5-9(10,11)8(13)12(7)6(2)3/h6-7H,4-5H2,1-3H3
InChIKeyMQXKQZLMHQXIGI-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 5-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidin-2-one (CID 123325633) is 5-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 5-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidin-2-one is CCC1CC(F)(F)C(=O)N1C(C)C.
What is the InChIKey of 5-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is MQXKQZLMHQXIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-4-7-5-9(10,11)8(13)12(7)6(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidin-2-one?
5-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 191.22 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,3-difluoro-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 123325633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).