4-di(propan-2-yloxy)phosphoryl-4-fluorobut-1-ene

C10H20FO3P — CID 13133774

IUPAC4-di(propan-2-yloxy)phosphoryl-4-fluorobut-1-ene
SMILESC=CCC(F)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H20FO3P/c1-6-7-10(11)15(12,13-8(2)3)14-9(4)5/h6,8-10H,1,7H2,2-5H3
InChIKeyFLTJSXGUVYXZBG-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.90
Rot. Bonds7

About 4-di(propan-2-yloxy)phosphoryl-4-fluorobut-1-ene

4-di(propan-2-yloxy)phosphoryl-4-fluorobut-1-ene (PubChem CID 13133774) has the molecular formula C10H20FO3P and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-di(propan-2-yloxy)phosphoryl-4-fluorobut-1-ene.

Molecular Properties

Compound Name4-di(propan-2-yloxy)phosphoryl-4-fluorobut-1-ene
PubChem CID13133774
Molecular FormulaC10H20FO3P
Molecular Weight238.24 g/mol
Exact Mass238.11
IUPAC Name4-di(propan-2-yloxy)phosphoryl-4-fluorobut-1-ene
SMILESC=CCC(F)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H20FO3P/c1-6-7-10(11)15(12,13-8(2)3)14-9(4)5/h6,8-10H,1,7H2,2-5H3
InChIKeyFLTJSXGUVYXZBG-UHFFFAOYSA-N
XLogP3.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-di(propan-2-yloxy)phosphoryl-4-fluorobut-1-ene 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 4-di(propan-2-yloxy)phosphoryl-4-fluorobut-1-ene?
The IUPAC name of 4-di(propan-2-yloxy)phosphoryl-4-fluorobut-1-ene (CID 13133774) is 4-di(propan-2-yloxy)phosphoryl-4-fluorobut-1-ene.
What is the SMILES notation for 4-di(propan-2-yloxy)phosphoryl-4-fluorobut-1-ene?
The canonical SMILES for 4-di(propan-2-yloxy)phosphoryl-4-fluorobut-1-ene is C=CCC(F)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 4-di(propan-2-yloxy)phosphoryl-4-fluorobut-1-ene?
The InChIKey is FLTJSXGUVYXZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FO3P/c1-6-7-10(11)15(12,13-8(2)3)14-9(4)5/h6,8-10H,1,7H2,2-5H3.
What are the key properties of 4-di(propan-2-yloxy)phosphoryl-4-fluorobut-1-ene?
4-di(propan-2-yloxy)phosphoryl-4-fluorobut-1-ene has a molecular weight of 238.24 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-di(propan-2-yloxy)phosphoryl-4-fluorobut-1-ene is sourced from PubChem (CID 13133774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).