(1-fluorocyclohexyl)methylselanylbenzene

C13H17FSe — CID 134934022

IUPAC(1-fluorocyclohexyl)methylselanylbenzene
SMILESFC1(C[Se]c2ccccc2)CCCCC1
InChIInChI=1S/C13H17FSe/c14-13(9-5-2-6-10-13)11-15-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyZQKCVUMNOGNWPY-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.11
Rot. Bonds3

About (1-fluorocyclohexyl)methylselanylbenzene

(1-fluorocyclohexyl)methylselanylbenzene (PubChem CID 134934022) has the molecular formula C13H17FSe and a molecular weight of 271.24 g/mol. Its IUPAC name is (1-fluorocyclohexyl)methylselanylbenzene.

Molecular Properties

Compound Name(1-fluorocyclohexyl)methylselanylbenzene
PubChem CID134934022
Molecular FormulaC13H17FSe
Molecular Weight271.24 g/mol
Exact Mass272.05
IUPAC Name(1-fluorocyclohexyl)methylselanylbenzene
SMILESFC1(C[Se]c2ccccc2)CCCCC1
InChIInChI=1S/C13H17FSe/c14-13(9-5-2-6-10-13)11-15-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyZQKCVUMNOGNWPY-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1-fluorocyclohexyl)methylselanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclohexyl)methylselanylbenzene?
The IUPAC name of (1-fluorocyclohexyl)methylselanylbenzene (CID 134934022) is (1-fluorocyclohexyl)methylselanylbenzene.
What is the SMILES notation for (1-fluorocyclohexyl)methylselanylbenzene?
The canonical SMILES for (1-fluorocyclohexyl)methylselanylbenzene is FC1(C[Se]c2ccccc2)CCCCC1.
What is the InChIKey of (1-fluorocyclohexyl)methylselanylbenzene?
The InChIKey is ZQKCVUMNOGNWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FSe/c14-13(9-5-2-6-10-13)11-15-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2.
What are the key properties of (1-fluorocyclohexyl)methylselanylbenzene?
(1-fluorocyclohexyl)methylselanylbenzene has a molecular weight of 271.24 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclohexyl)methylselanylbenzene is sourced from PubChem (CID 134934022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).