1-(4-fluoro-4-methylpyrrolidin-2-yl)propan-1-one

C8H14FNO — CID 77400022

IUPAC1-(4-fluoro-4-methylpyrrolidin-2-yl)propan-1-one
SMILESCCC(=O)C1CC(C)(F)CN1
InChIInChI=1S/C8H14FNO/c1-3-7(11)6-4-8(2,9)5-10-6/h6,10H,3-5H2,1-2H3
InChIKeyLKHHIOANVBLYDG-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.06
Rot. Bonds2

About 1-(4-fluoro-4-methylpyrrolidin-2-yl)propan-1-one

1-(4-fluoro-4-methylpyrrolidin-2-yl)propan-1-one (PubChem CID 77400022) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 1-(4-fluoro-4-methylpyrrolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-fluoro-4-methylpyrrolidin-2-yl)propan-1-one
PubChem CID77400022
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name1-(4-fluoro-4-methylpyrrolidin-2-yl)propan-1-one
SMILESCCC(=O)C1CC(C)(F)CN1
InChIInChI=1S/C8H14FNO/c1-3-7(11)6-4-8(2,9)5-10-6/h6,10H,3-5H2,1-2H3
InChIKeyLKHHIOANVBLYDG-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-4-methylpyrrolidin-2-yl)propan-1-one?
The IUPAC name of 1-(4-fluoro-4-methylpyrrolidin-2-yl)propan-1-one (CID 77400022) is 1-(4-fluoro-4-methylpyrrolidin-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-fluoro-4-methylpyrrolidin-2-yl)propan-1-one?
The canonical SMILES for 1-(4-fluoro-4-methylpyrrolidin-2-yl)propan-1-one is CCC(=O)C1CC(C)(F)CN1.
What is the InChIKey of 1-(4-fluoro-4-methylpyrrolidin-2-yl)propan-1-one?
The InChIKey is LKHHIOANVBLYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-3-7(11)6-4-8(2,9)5-10-6/h6,10H,3-5H2,1-2H3.
What are the key properties of 1-(4-fluoro-4-methylpyrrolidin-2-yl)propan-1-one?
1-(4-fluoro-4-methylpyrrolidin-2-yl)propan-1-one has a molecular weight of 159.20 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-4-methylpyrrolidin-2-yl)propan-1-one is sourced from PubChem (CID 77400022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).