1-(4,4-dimethylpyrrolidin-2-yl)-2-fluoroethanone

C8H14FNO — CID 171733032

IUPAC1-(4,4-dimethylpyrrolidin-2-yl)-2-fluoroethanone
SMILESCC1(C)CNC(C(=O)CF)C1
InChIInChI=1S/C8H14FNO/c1-8(2)3-6(10-5-8)7(11)4-9/h6,10H,3-5H2,1-2H3
InChIKeyTZSSRUZUYFWKNF-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.91
Rot. Bonds2

About 1-(4,4-dimethylpyrrolidin-2-yl)-2-fluoroethanone

1-(4,4-dimethylpyrrolidin-2-yl)-2-fluoroethanone (PubChem CID 171733032) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 1-(4,4-dimethylpyrrolidin-2-yl)-2-fluoroethanone.

Molecular Properties

Compound Name1-(4,4-dimethylpyrrolidin-2-yl)-2-fluoroethanone
PubChem CID171733032
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name1-(4,4-dimethylpyrrolidin-2-yl)-2-fluoroethanone
SMILESCC1(C)CNC(C(=O)CF)C1
InChIInChI=1S/C8H14FNO/c1-8(2)3-6(10-5-8)7(11)4-9/h6,10H,3-5H2,1-2H3
InChIKeyTZSSRUZUYFWKNF-UHFFFAOYSA-N
XLogP0.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpyrrolidin-2-yl)-2-fluoroethanone?
The IUPAC name of 1-(4,4-dimethylpyrrolidin-2-yl)-2-fluoroethanone (CID 171733032) is 1-(4,4-dimethylpyrrolidin-2-yl)-2-fluoroethanone.
What is the SMILES notation for 1-(4,4-dimethylpyrrolidin-2-yl)-2-fluoroethanone?
The canonical SMILES for 1-(4,4-dimethylpyrrolidin-2-yl)-2-fluoroethanone is CC1(C)CNC(C(=O)CF)C1.
What is the InChIKey of 1-(4,4-dimethylpyrrolidin-2-yl)-2-fluoroethanone?
The InChIKey is TZSSRUZUYFWKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-8(2)3-6(10-5-8)7(11)4-9/h6,10H,3-5H2,1-2H3.
What are the key properties of 1-(4,4-dimethylpyrrolidin-2-yl)-2-fluoroethanone?
1-(4,4-dimethylpyrrolidin-2-yl)-2-fluoroethanone has a molecular weight of 159.20 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpyrrolidin-2-yl)-2-fluoroethanone is sourced from PubChem (CID 171733032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).