1-fluoro-N-iodo-N-propylmethanesulfonamide

C4H9FINO2S — CID 118574597

IUPAC1-fluoro-N-iodo-N-propylmethanesulfonamide
SMILESCCCN(I)S(=O)(=O)CF
InChIInChI=1S/C4H9FINO2S/c1-2-3-7(6)10(8,9)4-5/h2-4H2,1H3
InChIKeyDWZPQDRJFOJIBP-UHFFFAOYSA-N
MW281.09 g/mol
LogP1.31
Rot. Bonds4

About 1-fluoro-N-iodo-N-propylmethanesulfonamide

1-fluoro-N-iodo-N-propylmethanesulfonamide (PubChem CID 118574597) has the molecular formula C4H9FINO2S and a molecular weight of 281.09 g/mol. Its IUPAC name is 1-fluoro-N-iodo-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1-fluoro-N-iodo-N-propylmethanesulfonamide
PubChem CID118574597
Molecular FormulaC4H9FINO2S
Molecular Weight281.09 g/mol
Exact Mass280.94
IUPAC Name1-fluoro-N-iodo-N-propylmethanesulfonamide
SMILESCCCN(I)S(=O)(=O)CF
InChIInChI=1S/C4H9FINO2S/c1-2-3-7(6)10(8,9)4-5/h2-4H2,1H3
InChIKeyDWZPQDRJFOJIBP-UHFFFAOYSA-N
XLogP1.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.09
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-iodo-N-propylmethanesulfonamide?
The IUPAC name of 1-fluoro-N-iodo-N-propylmethanesulfonamide (CID 118574597) is 1-fluoro-N-iodo-N-propylmethanesulfonamide.
What is the SMILES notation for 1-fluoro-N-iodo-N-propylmethanesulfonamide?
The canonical SMILES for 1-fluoro-N-iodo-N-propylmethanesulfonamide is CCCN(I)S(=O)(=O)CF.
What is the InChIKey of 1-fluoro-N-iodo-N-propylmethanesulfonamide?
The InChIKey is DWZPQDRJFOJIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FINO2S/c1-2-3-7(6)10(8,9)4-5/h2-4H2,1H3.
What are the key properties of 1-fluoro-N-iodo-N-propylmethanesulfonamide?
1-fluoro-N-iodo-N-propylmethanesulfonamide has a molecular weight of 281.09 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-iodo-N-propylmethanesulfonamide is sourced from PubChem (CID 118574597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).