bis(2-methylpropoxy)-(trifluoromethyl)phosphane

C9H18F3O2P — CID 12512960

IUPACbis(2-methylpropoxy)-(trifluoromethyl)phosphane
SMILESCC(C)COP(OCC(C)C)C(F)(F)F
InChIInChI=1S/C9H18F3O2P/c1-7(2)5-13-15(9(10,11)12)14-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyMDPSUCMEKXZNCF-UHFFFAOYSA-N
MW246.21 g/mol
LogP4.16
Rot. Bonds6

About bis(2-methylpropoxy)-(trifluoromethyl)phosphane

bis(2-methylpropoxy)-(trifluoromethyl)phosphane (PubChem CID 12512960) has the molecular formula C9H18F3O2P and a molecular weight of 246.21 g/mol. Its IUPAC name is bis(2-methylpropoxy)-(trifluoromethyl)phosphane.

Molecular Properties

Compound Namebis(2-methylpropoxy)-(trifluoromethyl)phosphane
PubChem CID12512960
Molecular FormulaC9H18F3O2P
Molecular Weight246.21 g/mol
Exact Mass246.10
IUPAC Namebis(2-methylpropoxy)-(trifluoromethyl)phosphane
SMILESCC(C)COP(OCC(C)C)C(F)(F)F
InChIInChI=1S/C9H18F3O2P/c1-7(2)5-13-15(9(10,11)12)14-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyMDPSUCMEKXZNCF-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(2-methylpropoxy)-(trifluoromethyl)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 bis(2-methylpropoxy)-(trifluoromethyl)phosphane?
The IUPAC name of bis(2-methylpropoxy)-(trifluoromethyl)phosphane (CID 12512960) is bis(2-methylpropoxy)-(trifluoromethyl)phosphane.
What is the SMILES notation for bis(2-methylpropoxy)-(trifluoromethyl)phosphane?
The canonical SMILES for bis(2-methylpropoxy)-(trifluoromethyl)phosphane is CC(C)COP(OCC(C)C)C(F)(F)F.
What is the InChIKey of bis(2-methylpropoxy)-(trifluoromethyl)phosphane?
The InChIKey is MDPSUCMEKXZNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3O2P/c1-7(2)5-13-15(9(10,11)12)14-6-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of bis(2-methylpropoxy)-(trifluoromethyl)phosphane?
bis(2-methylpropoxy)-(trifluoromethyl)phosphane has a molecular weight of 246.21 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropoxy)-(trifluoromethyl)phosphane is sourced from PubChem (CID 12512960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).