dicyclohexyl(4-fluorobut-2-enyl)phosphane

C16H28FP — CID 141408973

IUPACdicyclohexyl(4-fluorobut-2-enyl)phosphane
SMILESFCC=CCP(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H28FP/c17-13-7-8-14-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h7-8,15-16H,1-6,9-14H2
InChIKeyICAWLAZOGRMFRH-UHFFFAOYSA-N
MW270.37 g/mol
LogP5.66
Rot. Bonds5

About dicyclohexyl(4-fluorobut-2-enyl)phosphane

dicyclohexyl(4-fluorobut-2-enyl)phosphane (PubChem CID 141408973) has the molecular formula C16H28FP and a molecular weight of 270.37 g/mol. Its IUPAC name is dicyclohexyl(4-fluorobut-2-enyl)phosphane.

Molecular Properties

Compound Namedicyclohexyl(4-fluorobut-2-enyl)phosphane
PubChem CID141408973
Molecular FormulaC16H28FP
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namedicyclohexyl(4-fluorobut-2-enyl)phosphane
SMILESFCC=CCP(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H28FP/c17-13-7-8-14-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h7-8,15-16H,1-6,9-14H2
InChIKeyICAWLAZOGRMFRH-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.37
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dicyclohexyl(4-fluorobut-2-enyl)phosphane 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 dicyclohexyl(4-fluorobut-2-enyl)phosphane?
The IUPAC name of dicyclohexyl(4-fluorobut-2-enyl)phosphane (CID 141408973) is dicyclohexyl(4-fluorobut-2-enyl)phosphane.
What is the SMILES notation for dicyclohexyl(4-fluorobut-2-enyl)phosphane?
The canonical SMILES for dicyclohexyl(4-fluorobut-2-enyl)phosphane is FCC=CCP(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl(4-fluorobut-2-enyl)phosphane?
The InChIKey is ICAWLAZOGRMFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FP/c17-13-7-8-14-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h7-8,15-16H,1-6,9-14H2.
What are the key properties of dicyclohexyl(4-fluorobut-2-enyl)phosphane?
dicyclohexyl(4-fluorobut-2-enyl)phosphane has a molecular weight of 270.37 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl(4-fluorobut-2-enyl)phosphane is sourced from PubChem (CID 141408973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).