CID 165088007

C8H6FKNO — CID 165088007

IUPAC—
SMILESO=C1Cc2ccccc2N1F.[K]
InChIInChI=1S/C8H6FNO.K/c9-10-7-4-2-1-3-6(7)5-8(10)11;/h1-4H,5H2;
InChIKeyWFKIPCQQBGLPQC-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.08
Rot. Bonds

About CID 165088007

CID 165088007 (PubChem CID 165088007) has the molecular formula C8H6FKNO and a molecular weight of 190.24 g/mol.

Molecular Properties

Compound NameCID 165088007
PubChem CID165088007
Molecular FormulaC8H6FKNO
Molecular Weight190.24 g/mol
Exact Mass190.01
IUPAC Name—
SMILESO=C1Cc2ccccc2N1F.[K]
InChIInChI=1S/C8H6FNO.K/c9-10-7-4-2-1-3-6(7)5-8(10)11;/h1-4H,5H2;
InChIKeyWFKIPCQQBGLPQC-UHFFFAOYSA-N
XLogP1.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 165088007?
The IUPAC name of CID 165088007 (CID 165088007) is not available.
What is the SMILES notation for CID 165088007?
The canonical SMILES for CID 165088007 is O=C1Cc2ccccc2N1F.[K].
What is the InChIKey of CID 165088007?
The InChIKey is WFKIPCQQBGLPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO.K/c9-10-7-4-2-1-3-6(7)5-8(10)11;/h1-4H,5H2;.
What are the key properties of CID 165088007?
CID 165088007 has a molecular weight of 190.24 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165088007 is sourced from PubChem (CID 165088007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).