CID 18982406

C19H17BF4OS — CID 18982406

IUPAC—
SMILESF[B-](F)(F)F.O=[S+](Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17OS.BF4/c20-21(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17;2-1(3,4)5/h1-15H,16H2;/q+1;-1
InChIKeyLLIRWELXIOFMQU-UHFFFAOYSA-N
MW380.22 g/mol
LogP6.10
Rot. Bonds4

About CID 18982406

CID 18982406 (PubChem CID 18982406) has the molecular formula C19H17BF4OS and a molecular weight of 380.22 g/mol.

Molecular Properties

Compound NameCID 18982406
PubChem CID18982406
Molecular FormulaC19H17BF4OS
Molecular Weight380.22 g/mol
Exact Mass380.10
IUPAC Name—
SMILESF[B-](F)(F)F.O=[S+](Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17OS.BF4/c20-21(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17;2-1(3,4)5/h1-15H,16H2;/q+1;-1
InChIKeyLLIRWELXIOFMQU-UHFFFAOYSA-N
XLogP6.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.22
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 18982406?
The IUPAC name of CID 18982406 (CID 18982406) is not available.
What is the SMILES notation for CID 18982406?
The canonical SMILES for CID 18982406 is F[B-](F)(F)F.O=[S+](Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 18982406?
The InChIKey is LLIRWELXIOFMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17OS.BF4/c20-21(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17;2-1(3,4)5/h1-15H,16H2;/q+1;-1.
What are the key properties of CID 18982406?
CID 18982406 has a molecular weight of 380.22 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18982406 is sourced from PubChem (CID 18982406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).