CID 161203690

C7H11FINS — CID 161203690

IUPAC—
SMILESCC1=CC(C)=NCCS1.FI
InChIInChI=1S/C7H11NS.FI/c1-6-5-7(2)9-4-3-8-6;1-2/h5H,3-4H2,1-2H3;
InChIKeyUVHZAHCQFQCUFY-UHFFFAOYSA-N
MW287.14 g/mol
LogP3.40
Rot. Bonds

About CID 161203690

CID 161203690 (PubChem CID 161203690) has the molecular formula C7H11FINS and a molecular weight of 287.14 g/mol.

Molecular Properties

Compound NameCID 161203690
PubChem CID161203690
Molecular FormulaC7H11FINS
Molecular Weight287.14 g/mol
Exact Mass286.96
IUPAC Name—
SMILESCC1=CC(C)=NCCS1.FI
InChIInChI=1S/C7H11NS.FI/c1-6-5-7(2)9-4-3-8-6;1-2/h5H,3-4H2,1-2H3;
InChIKeyUVHZAHCQFQCUFY-UHFFFAOYSA-N
XLogP3.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 161203690?
The IUPAC name of CID 161203690 (CID 161203690) is not available.
What is the SMILES notation for CID 161203690?
The canonical SMILES for CID 161203690 is CC1=CC(C)=NCCS1.FI.
What is the InChIKey of CID 161203690?
The InChIKey is UVHZAHCQFQCUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS.FI/c1-6-5-7(2)9-4-3-8-6;1-2/h5H,3-4H2,1-2H3;.
What are the key properties of CID 161203690?
CID 161203690 has a molecular weight of 287.14 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161203690 is sourced from PubChem (CID 161203690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).