LDYCDYVYRFNQEB-UHFFFAOYSA-N

C₂₀H₂₅FO₃S — CID 25017344

About LDYCDYVYRFNQEB-UHFFFAOYSA-N

LDYCDYVYRFNQEB-UHFFFAOYSA-N (PubChem CID 25017344) has the molecular formula C₂₀H₂₅FO₃S and a molecular weight of 364.48 g/mol. Its IUPAC name is 7-(4-phenylmethoxyphenyl)heptane-1-sulfonyl fluoride.

Molecular Properties

• Compound Name: LDYCDYVYRFNQEB-UHFFFAOYSA-N
• PubChem CID: 25017344
• Molecular Formula: C₂₀H₂₅FO₃S
• Molecular Weight: 364.48 g/mol
• Exact Mass: 364.15
• IUPAC Name: 7-(4-phenylmethoxyphenyl)heptane-1-sulfonyl fluoride
• SMILES: O=S(=O)(F)CCCCCCCc1ccc(OCc2ccccc2)cc1
• InChI: InChI=1S/C20H25FO3S/c21-25(22,23)16-8-3-1-2-5-9-18-12-14-20(15-13-18)24-17-19-10-6-4-7-11-19/h4,6-7,10-15H,1-3,5,8-9,16-17H2
• InChIKey: LDYCDYVYRFNQEB-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 43.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	364.48
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of LDYCDYVYRFNQEB-UHFFFAOYSA-N?

The IUPAC name of LDYCDYVYRFNQEB-UHFFFAOYSA-N (CID 25017344) is 7-(4-phenylmethoxyphenyl)heptane-1-sulfonyl fluoride.

What is the SMILES notation for LDYCDYVYRFNQEB-UHFFFAOYSA-N?

The canonical SMILES for LDYCDYVYRFNQEB-UHFFFAOYSA-N is O=S(=O)(F)CCCCCCCc1ccc(OCc2ccccc2)cc1.

What is the InChIKey of LDYCDYVYRFNQEB-UHFFFAOYSA-N?

The InChIKey is LDYCDYVYRFNQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FO3S/c21-25(22,23)16-8-3-1-2-5-9-18-12-14-20(15-13-18)24-17-19-10-6-4-7-11-19/h4,6-7,10-15H,1-3,5,8-9,16-17H2.

What are the key properties of LDYCDYVYRFNQEB-UHFFFAOYSA-N?

LDYCDYVYRFNQEB-UHFFFAOYSA-N has a molecular weight of 364.48 g/mol, XLogP of 5.06, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for LDYCDYVYRFNQEB-UHFFFAOYSA-N is sourced from PubChem (CID 25017344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 25017344 — identifiers, structure, computed properties (public domain)

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