1-ethyl-3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one

C10H17F2NO — CID 176797213

IUPAC1-ethyl-3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one
SMILESCCN1CC(CC(C)C)C(F)(F)C1=O
InChIInChI=1S/C10H17F2NO/c1-4-13-6-8(5-7(2)3)10(11,12)9(13)14/h7-8H,4-6H2,1-3H3
InChIKeyUDSAUWPUADSMDT-UHFFFAOYSA-N
MW205.25 g/mol
LogP2.15
Rot. Bonds3

About 1-ethyl-3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one

1-ethyl-3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 176797213) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 1-ethyl-3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one
PubChem CID176797213
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name1-ethyl-3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one
SMILESCCN1CC(CC(C)C)C(F)(F)C1=O
InChIInChI=1S/C10H17F2NO/c1-4-13-6-8(5-7(2)3)10(11,12)9(13)14/h7-8H,4-6H2,1-3H3
InChIKeyUDSAUWPUADSMDT-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 1-ethyl-3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one (CID 176797213) is 1-ethyl-3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one is CCN1CC(CC(C)C)C(F)(F)C1=O.
What is the InChIKey of 1-ethyl-3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is UDSAUWPUADSMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-4-13-6-8(5-7(2)3)10(11,12)9(13)14/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-ethyl-3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one?
1-ethyl-3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 205.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 176797213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).