1-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-1-one

C7H12FNO — CID 67725130

IUPAC1-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-1-one
SMILESCCC(=O)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C7H12FNO/c1-2-7(10)6-3-5(8)4-9-6/h5-6,9H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyMOYWZJYPEJUTKE-RITPCOANSA-N
MW145.18 g/mol
LogP0.67
Rot. Bonds2

About 1-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-1-one

1-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-1-one (PubChem CID 67725130) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-1-one
PubChem CID67725130
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name1-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-1-one
SMILESCCC(=O)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C7H12FNO/c1-2-7(10)6-3-5(8)4-9-6/h5-6,9H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyMOYWZJYPEJUTKE-RITPCOANSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-1-one?
The IUPAC name of 1-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-1-one (CID 67725130) is 1-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-1-one.
What is the SMILES notation for 1-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-1-one?
The canonical SMILES for 1-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-1-one is CCC(=O)[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of 1-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-1-one?
The InChIKey is MOYWZJYPEJUTKE-RITPCOANSA-N. The full InChI is InChI=1S/C7H12FNO/c1-2-7(10)6-3-5(8)4-9-6/h5-6,9H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of 1-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-1-one?
1-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-1-one has a molecular weight of 145.18 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-1-one is sourced from PubChem (CID 67725130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).