1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-one

C7H12FNO — CID 58245643

IUPAC1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-one
SMILESCC(=O)CN1CC[C@@H](F)C1
InChIInChI=1S/C7H12FNO/c1-6(10)4-9-3-2-7(8)5-9/h7H,2-5H2,1H3/t7-/m1/s1
InChIKeySGLAJUUIWVALJH-SSDOTTSWSA-N
MW145.18 g/mol
LogP0.62
Rot. Bonds2

About 1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-one

1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-one (PubChem CID 58245643) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-one
PubChem CID58245643
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-one
SMILESCC(=O)CN1CC[C@@H](F)C1
InChIInChI=1S/C7H12FNO/c1-6(10)4-9-3-2-7(8)5-9/h7H,2-5H2,1H3/t7-/m1/s1
InChIKeySGLAJUUIWVALJH-SSDOTTSWSA-N
XLogP0.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-one?
The IUPAC name of 1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-one (CID 58245643) is 1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-one.
What is the SMILES notation for 1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-one?
The canonical SMILES for 1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-one is CC(=O)CN1CC[C@@H](F)C1.
What is the InChIKey of 1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-one?
The InChIKey is SGLAJUUIWVALJH-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12FNO/c1-6(10)4-9-3-2-7(8)5-9/h7H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of 1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-one?
1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-one has a molecular weight of 145.18 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-one is sourced from PubChem (CID 58245643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).