1-(1-iodopropan-2-yloxy)butane-1-sulfonyl fluoride

C7H14FIO3S — CID 166564308

IUPAC1-(1-iodopropan-2-yloxy)butane-1-sulfonyl fluoride
SMILESCCCC(OC(C)CI)S(=O)(=O)F
InChIInChI=1S/C7H14FIO3S/c1-3-4-7(13(8,10)11)12-6(2)5-9/h6-7H,3-5H2,1-2H3
InChIKeyKWBGLPJZFNQKSI-UHFFFAOYSA-N
MW324.16 g/mol
LogP2.25
Rot. Bonds6

About 1-(1-iodopropan-2-yloxy)butane-1-sulfonyl fluoride

1-(1-iodopropan-2-yloxy)butane-1-sulfonyl fluoride (PubChem CID 166564308) has the molecular formula C7H14FIO3S and a molecular weight of 324.16 g/mol. Its IUPAC name is 1-(1-iodopropan-2-yloxy)butane-1-sulfonyl fluoride.

Molecular Properties

Compound Name1-(1-iodopropan-2-yloxy)butane-1-sulfonyl fluoride
PubChem CID166564308
Molecular FormulaC7H14FIO3S
Molecular Weight324.16 g/mol
Exact Mass323.97
IUPAC Name1-(1-iodopropan-2-yloxy)butane-1-sulfonyl fluoride
SMILESCCCC(OC(C)CI)S(=O)(=O)F
InChIInChI=1S/C7H14FIO3S/c1-3-4-7(13(8,10)11)12-6(2)5-9/h6-7H,3-5H2,1-2H3
InChIKeyKWBGLPJZFNQKSI-UHFFFAOYSA-N
XLogP2.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Propan-2-yloxy)ethane-1-sulfonyl fluoride
CID 22420418
3-Butoxypropane-1-sulfonyl fluoride
CID 88594421
1-(1-Iodopropan-2-yloxy)ethanesulfonyl fluoride
CID 166564306
2-Methoxypropane-1-sulfonyl fluoride
CID 122235976
(2S)-2-methoxypropane-1-sulfonyl fluoride
CID 124710030
(2R)-2-methoxypropane-1-sulfonyl fluoride
CID 124710031
2-Methoxypentane-1-sulfonyl fluoride
CID 164664043
2-Methoxybutane-1-sulfonyl fluoride
CID 165461371
3-Ethoxycyclobutane-1-sulfonyl fluoride
CID 165721040
2-Ethoxypropane-1-sulfonyl fluoride
CID 165870409
3-Methoxybutane-2-sulfonyl fluoride
CID 165871065
3-(Propan-2-yloxy)propane-1-sulfonyl fluoride
CID 165899761

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodopropan-2-yloxy)butane-1-sulfonyl fluoride?
The IUPAC name of 1-(1-iodopropan-2-yloxy)butane-1-sulfonyl fluoride (CID 166564308) is 1-(1-iodopropan-2-yloxy)butane-1-sulfonyl fluoride.
What is the SMILES notation for 1-(1-iodopropan-2-yloxy)butane-1-sulfonyl fluoride?
The canonical SMILES for 1-(1-iodopropan-2-yloxy)butane-1-sulfonyl fluoride is CCCC(OC(C)CI)S(=O)(=O)F.
What is the InChIKey of 1-(1-iodopropan-2-yloxy)butane-1-sulfonyl fluoride?
The InChIKey is KWBGLPJZFNQKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FIO3S/c1-3-4-7(13(8,10)11)12-6(2)5-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(1-iodopropan-2-yloxy)butane-1-sulfonyl fluoride?
1-(1-iodopropan-2-yloxy)butane-1-sulfonyl fluoride has a molecular weight of 324.16 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodopropan-2-yloxy)butane-1-sulfonyl fluoride is sourced from PubChem (CID 166564308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).