4-phenylbutane-1-sulfonyl fluoride

C10H13FO2S — CID 71452049

IUPAC4-phenylbutane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCc1ccccc1
InChIInChI=1S/C10H13FO2S/c11-14(12,13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyWRECQDZLBBCTPP-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.31
Rot. Bonds5

About 4-phenylbutane-1-sulfonyl fluoride

4-phenylbutane-1-sulfonyl fluoride (PubChem CID 71452049) has the molecular formula C10H13FO2S and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-phenylbutane-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-phenylbutane-1-sulfonyl fluoride
PubChem CID71452049
Molecular FormulaC10H13FO2S
Molecular Weight216.28 g/mol
Exact Mass216.06
IUPAC Name4-phenylbutane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCc1ccccc1
InChIInChI=1S/C10H13FO2S/c11-14(12,13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyWRECQDZLBBCTPP-UHFFFAOYSA-N
XLogP2.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenylbutane-1-sulfonyl fluoride?
The IUPAC name of 4-phenylbutane-1-sulfonyl fluoride (CID 71452049) is 4-phenylbutane-1-sulfonyl fluoride.
What is the SMILES notation for 4-phenylbutane-1-sulfonyl fluoride?
The canonical SMILES for 4-phenylbutane-1-sulfonyl fluoride is O=S(=O)(F)CCCCc1ccccc1.
What is the InChIKey of 4-phenylbutane-1-sulfonyl fluoride?
The InChIKey is WRECQDZLBBCTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2S/c11-14(12,13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2.
What are the key properties of 4-phenylbutane-1-sulfonyl fluoride?
4-phenylbutane-1-sulfonyl fluoride has a molecular weight of 216.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbutane-1-sulfonyl fluoride is sourced from PubChem (CID 71452049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).