1-(1-fluoropropylamino)propan-2-one

C6H12FNO — CID 154670589

IUPAC1-(1-fluoropropylamino)propan-2-one
SMILESCCC(F)NCC(C)=O
InChIInChI=1S/C6H12FNO/c1-3-6(7)8-4-5(2)9/h6,8H,3-4H2,1-2H3
InChIKeyCWMBDGRLTKFFRT-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.87
Rot. Bonds4

About 1-(1-fluoropropylamino)propan-2-one

1-(1-fluoropropylamino)propan-2-one (PubChem CID 154670589) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 1-(1-fluoropropylamino)propan-2-one.

Molecular Properties

Compound Name1-(1-fluoropropylamino)propan-2-one
PubChem CID154670589
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name1-(1-fluoropropylamino)propan-2-one
SMILESCCC(F)NCC(C)=O
InChIInChI=1S/C6H12FNO/c1-3-6(7)8-4-5(2)9/h6,8H,3-4H2,1-2H3
InChIKeyCWMBDGRLTKFFRT-UHFFFAOYSA-N
XLogP0.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoropropylamino)propan-2-one?
The IUPAC name of 1-(1-fluoropropylamino)propan-2-one (CID 154670589) is 1-(1-fluoropropylamino)propan-2-one.
What is the SMILES notation for 1-(1-fluoropropylamino)propan-2-one?
The canonical SMILES for 1-(1-fluoropropylamino)propan-2-one is CCC(F)NCC(C)=O.
What is the InChIKey of 1-(1-fluoropropylamino)propan-2-one?
The InChIKey is CWMBDGRLTKFFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-3-6(7)8-4-5(2)9/h6,8H,3-4H2,1-2H3.
What are the key properties of 1-(1-fluoropropylamino)propan-2-one?
1-(1-fluoropropylamino)propan-2-one has a molecular weight of 133.17 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoropropylamino)propan-2-one is sourced from PubChem (CID 154670589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).