1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-one

C8H14FNO — CID 105431233

IUPAC1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-one
SMILESCC(=O)C(F)C1CCN(C)C1
InChIInChI=1S/C8H14FNO/c1-6(11)8(9)7-3-4-10(2)5-7/h7-8H,3-5H2,1-2H3
InChIKeyLMTPUISMISFPNW-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.87
Rot. Bonds2

About 1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-one

1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-one (PubChem CID 105431233) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-one
PubChem CID105431233
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-one
SMILESCC(=O)C(F)C1CCN(C)C1
InChIInChI=1S/C8H14FNO/c1-6(11)8(9)7-3-4-10(2)5-7/h7-8H,3-5H2,1-2H3
InChIKeyLMTPUISMISFPNW-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-one?
The IUPAC name of 1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-one (CID 105431233) is 1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-one.
What is the SMILES notation for 1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-one?
The canonical SMILES for 1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-one is CC(=O)C(F)C1CCN(C)C1.
What is the InChIKey of 1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-one?
The InChIKey is LMTPUISMISFPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-6(11)8(9)7-3-4-10(2)5-7/h7-8H,3-5H2,1-2H3.
What are the key properties of 1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-one?
1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-one has a molecular weight of 159.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-one is sourced from PubChem (CID 105431233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).