7-phenylheptane-1-sulfonyl fluoride

C13H19FO2S — CID 25017077

IUPAC7-phenylheptane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCCCCc1ccccc1
InChIInChI=1S/C13H19FO2S/c14-17(15,16)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,1-3,5,8-9,12H2
InChIKeySRLSOPMAXAYTMI-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.48
Rot. Bonds8

About 7-phenylheptane-1-sulfonyl fluoride

7-phenylheptane-1-sulfonyl fluoride (PubChem CID 25017077) has the molecular formula C13H19FO2S and a molecular weight of 258.36 g/mol. Its IUPAC name is 7-phenylheptane-1-sulfonyl fluoride.

Molecular Properties

Compound Name7-phenylheptane-1-sulfonyl fluoride
PubChem CID25017077
Molecular FormulaC13H19FO2S
Molecular Weight258.36 g/mol
Exact Mass258.11
IUPAC Name7-phenylheptane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCCCCc1ccccc1
InChIInChI=1S/C13H19FO2S/c14-17(15,16)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,1-3,5,8-9,12H2
InChIKeySRLSOPMAXAYTMI-UHFFFAOYSA-N
XLogP3.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.48
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 7-phenylheptane-1-sulfonyl fluoride?
The IUPAC name of 7-phenylheptane-1-sulfonyl fluoride (CID 25017077) is 7-phenylheptane-1-sulfonyl fluoride.
What is the SMILES notation for 7-phenylheptane-1-sulfonyl fluoride?
The canonical SMILES for 7-phenylheptane-1-sulfonyl fluoride is O=S(=O)(F)CCCCCCCc1ccccc1.
What is the InChIKey of 7-phenylheptane-1-sulfonyl fluoride?
The InChIKey is SRLSOPMAXAYTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2S/c14-17(15,16)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,1-3,5,8-9,12H2.
What are the key properties of 7-phenylheptane-1-sulfonyl fluoride?
7-phenylheptane-1-sulfonyl fluoride has a molecular weight of 258.36 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylheptane-1-sulfonyl fluoride is sourced from PubChem (CID 25017077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).