1-(3-fluoropyrrolidin-1-yl)-1-phosphanylbutan-2-one

C8H15FNOP — CID 90773439

IUPAC1-(3-fluoropyrrolidin-1-yl)-1-phosphanylbutan-2-one
SMILESCCC(=O)C(P)N1CCC(F)C1
InChIInChI=1S/C8H15FNOP/c1-2-7(11)8(12)10-4-3-6(9)5-10/h6,8H,2-5,12H2,1H3
InChIKeyVHODWVVJAHCBDN-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.21
Rot. Bonds3

About 1-(3-fluoropyrrolidin-1-yl)-1-phosphanylbutan-2-one

1-(3-fluoropyrrolidin-1-yl)-1-phosphanylbutan-2-one (PubChem CID 90773439) has the molecular formula C8H15FNOP and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-(3-fluoropyrrolidin-1-yl)-1-phosphanylbutan-2-one.

Molecular Properties

Compound Name1-(3-fluoropyrrolidin-1-yl)-1-phosphanylbutan-2-one
PubChem CID90773439
Molecular FormulaC8H15FNOP
Molecular Weight191.19 g/mol
Exact Mass191.09
IUPAC Name1-(3-fluoropyrrolidin-1-yl)-1-phosphanylbutan-2-one
SMILESCCC(=O)C(P)N1CCC(F)C1
InChIInChI=1S/C8H15FNOP/c1-2-7(11)8(12)10-4-3-6(9)5-10/h6,8H,2-5,12H2,1H3
InChIKeyVHODWVVJAHCBDN-UHFFFAOYSA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropyrrolidin-1-yl)-1-phosphanylbutan-2-one?
The IUPAC name of 1-(3-fluoropyrrolidin-1-yl)-1-phosphanylbutan-2-one (CID 90773439) is 1-(3-fluoropyrrolidin-1-yl)-1-phosphanylbutan-2-one.
What is the SMILES notation for 1-(3-fluoropyrrolidin-1-yl)-1-phosphanylbutan-2-one?
The canonical SMILES for 1-(3-fluoropyrrolidin-1-yl)-1-phosphanylbutan-2-one is CCC(=O)C(P)N1CCC(F)C1.
What is the InChIKey of 1-(3-fluoropyrrolidin-1-yl)-1-phosphanylbutan-2-one?
The InChIKey is VHODWVVJAHCBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FNOP/c1-2-7(11)8(12)10-4-3-6(9)5-10/h6,8H,2-5,12H2,1H3.
What are the key properties of 1-(3-fluoropyrrolidin-1-yl)-1-phosphanylbutan-2-one?
1-(3-fluoropyrrolidin-1-yl)-1-phosphanylbutan-2-one has a molecular weight of 191.19 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropyrrolidin-1-yl)-1-phosphanylbutan-2-one is sourced from PubChem (CID 90773439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).