3-(1-fluoroethyl)-1-methyl-3-propan-2-ylpyrrolidin-2-one

C10H18FNO — CID 155363875

IUPAC3-(1-fluoroethyl)-1-methyl-3-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1(C(C)F)CCN(C)C1=O
InChIInChI=1S/C10H18FNO/c1-7(2)10(8(3)11)5-6-12(4)9(10)13/h7-8H,5-6H2,1-4H3
InChIKeyHFRAGATXVLBUKL-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.85
Rot. Bonds2

About 3-(1-fluoroethyl)-1-methyl-3-propan-2-ylpyrrolidin-2-one

3-(1-fluoroethyl)-1-methyl-3-propan-2-ylpyrrolidin-2-one (PubChem CID 155363875) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-1-methyl-3-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(1-fluoroethyl)-1-methyl-3-propan-2-ylpyrrolidin-2-one
PubChem CID155363875
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name3-(1-fluoroethyl)-1-methyl-3-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1(C(C)F)CCN(C)C1=O
InChIInChI=1S/C10H18FNO/c1-7(2)10(8(3)11)5-6-12(4)9(10)13/h7-8H,5-6H2,1-4H3
InChIKeyHFRAGATXVLBUKL-UHFFFAOYSA-N
XLogP1.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)-1-methyl-3-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-(1-fluoroethyl)-1-methyl-3-propan-2-ylpyrrolidin-2-one (CID 155363875) is 3-(1-fluoroethyl)-1-methyl-3-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-(1-fluoroethyl)-1-methyl-3-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-(1-fluoroethyl)-1-methyl-3-propan-2-ylpyrrolidin-2-one is CC(C)C1(C(C)F)CCN(C)C1=O.
What is the InChIKey of 3-(1-fluoroethyl)-1-methyl-3-propan-2-ylpyrrolidin-2-one?
The InChIKey is HFRAGATXVLBUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-7(2)10(8(3)11)5-6-12(4)9(10)13/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-(1-fluoroethyl)-1-methyl-3-propan-2-ylpyrrolidin-2-one?
3-(1-fluoroethyl)-1-methyl-3-propan-2-ylpyrrolidin-2-one has a molecular weight of 187.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-1-methyl-3-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 155363875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).