2-fluoro-1-pyrrolidin-1-ylpropan-1-one

C7H12FNO — CID 25001565

IUPAC2-fluoro-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(F)C(=O)N1CCCC1
InChIInChI=1S/C7H12FNO/c1-6(8)7(10)9-4-2-3-5-9/h6H,2-5H2,1H3
InChIKeyOZQQOBRMGWTVHK-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.97
Rot. Bonds1

About 2-fluoro-1-pyrrolidin-1-ylpropan-1-one

2-fluoro-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 25001565) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 2-fluoro-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-fluoro-1-pyrrolidin-1-ylpropan-1-one
PubChem CID25001565
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name2-fluoro-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(F)C(=O)N1CCCC1
InChIInChI=1S/C7H12FNO/c1-6(8)7(10)9-4-2-3-5-9/h6H,2-5H2,1H3
InChIKeyOZQQOBRMGWTVHK-UHFFFAOYSA-N
XLogP0.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-fluoro-1-pyrrolidin-1-ylpropan-1-one (CID 25001565) is 2-fluoro-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-fluoro-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-fluoro-1-pyrrolidin-1-ylpropan-1-one is CC(F)C(=O)N1CCCC1.
What is the InChIKey of 2-fluoro-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is OZQQOBRMGWTVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-6(8)7(10)9-4-2-3-5-9/h6H,2-5H2,1H3.
What are the key properties of 2-fluoro-1-pyrrolidin-1-ylpropan-1-one?
2-fluoro-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 145.18 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 25001565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).