2,2-bis(prop-2-enoxymethyl)butoxy-difluorophosphane

C12H21F2O3P — CID 146623190

IUPAC2,2-bis(prop-2-enoxymethyl)butoxy-difluorophosphane
SMILESC=CCOCC(CC)(COCC=C)COP(F)F
InChIInChI=1S/C12H21F2O3P/c1-4-7-15-9-12(6-3,10-16-8-5-2)11-17-18(13)14/h4-5H,1-2,6-11H2,3H3
InChIKeyIEQXRFMHOPAOPV-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.97
Rot. Bonds12

About 2,2-bis(prop-2-enoxymethyl)butoxy-difluorophosphane

2,2-bis(prop-2-enoxymethyl)butoxy-difluorophosphane (PubChem CID 146623190) has the molecular formula C12H21F2O3P and a molecular weight of 282.27 g/mol. Its IUPAC name is 2,2-bis(prop-2-enoxymethyl)butoxy-difluorophosphane.

Molecular Properties

Compound Name2,2-bis(prop-2-enoxymethyl)butoxy-difluorophosphane
PubChem CID146623190
Molecular FormulaC12H21F2O3P
Molecular Weight282.27 g/mol
Exact Mass282.12
IUPAC Name2,2-bis(prop-2-enoxymethyl)butoxy-difluorophosphane
SMILESC=CCOCC(CC)(COCC=C)COP(F)F
InChIInChI=1S/C12H21F2O3P/c1-4-7-15-9-12(6-3,10-16-8-5-2)11-17-18(13)14/h4-5H,1-2,6-11H2,3H3
InChIKeyIEQXRFMHOPAOPV-UHFFFAOYSA-N
XLogP3.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-bis(prop-2-enoxymethyl)butoxy-difluorophosphane 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 2,2-bis(prop-2-enoxymethyl)butoxy-difluorophosphane?
The IUPAC name of 2,2-bis(prop-2-enoxymethyl)butoxy-difluorophosphane (CID 146623190) is 2,2-bis(prop-2-enoxymethyl)butoxy-difluorophosphane.
What is the SMILES notation for 2,2-bis(prop-2-enoxymethyl)butoxy-difluorophosphane?
The canonical SMILES for 2,2-bis(prop-2-enoxymethyl)butoxy-difluorophosphane is C=CCOCC(CC)(COCC=C)COP(F)F.
What is the InChIKey of 2,2-bis(prop-2-enoxymethyl)butoxy-difluorophosphane?
The InChIKey is IEQXRFMHOPAOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2O3P/c1-4-7-15-9-12(6-3,10-16-8-5-2)11-17-18(13)14/h4-5H,1-2,6-11H2,3H3.
What are the key properties of 2,2-bis(prop-2-enoxymethyl)butoxy-difluorophosphane?
2,2-bis(prop-2-enoxymethyl)butoxy-difluorophosphane has a molecular weight of 282.27 g/mol, XLogP of 3.97, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enoxymethyl)butoxy-difluorophosphane is sourced from PubChem (CID 146623190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).