1-fluoro-1-pyrrolidin-3-ylpropan-2-one

C7H12FNO — CID 105428770

IUPAC1-fluoro-1-pyrrolidin-3-ylpropan-2-one
SMILESCC(=O)C(F)C1CCNC1
InChIInChI=1S/C7H12FNO/c1-5(10)7(8)6-2-3-9-4-6/h6-7,9H,2-4H2,1H3
InChIKeyIGZWACUIPKXKKG-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.52
Rot. Bonds2

About 1-fluoro-1-pyrrolidin-3-ylpropan-2-one

1-fluoro-1-pyrrolidin-3-ylpropan-2-one (PubChem CID 105428770) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-fluoro-1-pyrrolidin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-fluoro-1-pyrrolidin-3-ylpropan-2-one
PubChem CID105428770
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name1-fluoro-1-pyrrolidin-3-ylpropan-2-one
SMILESCC(=O)C(F)C1CCNC1
InChIInChI=1S/C7H12FNO/c1-5(10)7(8)6-2-3-9-4-6/h6-7,9H,2-4H2,1H3
InChIKeyIGZWACUIPKXKKG-UHFFFAOYSA-N
XLogP0.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-pyrrolidin-3-ylpropan-2-one?
The IUPAC name of 1-fluoro-1-pyrrolidin-3-ylpropan-2-one (CID 105428770) is 1-fluoro-1-pyrrolidin-3-ylpropan-2-one.
What is the SMILES notation for 1-fluoro-1-pyrrolidin-3-ylpropan-2-one?
The canonical SMILES for 1-fluoro-1-pyrrolidin-3-ylpropan-2-one is CC(=O)C(F)C1CCNC1.
What is the InChIKey of 1-fluoro-1-pyrrolidin-3-ylpropan-2-one?
The InChIKey is IGZWACUIPKXKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-5(10)7(8)6-2-3-9-4-6/h6-7,9H,2-4H2,1H3.
What are the key properties of 1-fluoro-1-pyrrolidin-3-ylpropan-2-one?
1-fluoro-1-pyrrolidin-3-ylpropan-2-one has a molecular weight of 145.18 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-pyrrolidin-3-ylpropan-2-one is sourced from PubChem (CID 105428770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).