dibutyl(2,2,2-trifluoroethyl)phosphane

C10H20F3P — CID 89202861

IUPACdibutyl(2,2,2-trifluoroethyl)phosphane
SMILESCCCCP(CCCC)CC(F)(F)F
InChIInChI=1S/C10H20F3P/c1-3-5-7-14(8-6-4-2)9-10(11,12)13/h3-9H2,1-2H3
InChIKeyXWRGVGBBGFMQPT-UHFFFAOYSA-N
MW228.24 g/mol
LogP4.63
Rot. Bonds7

About dibutyl(2,2,2-trifluoroethyl)phosphane

dibutyl(2,2,2-trifluoroethyl)phosphane (PubChem CID 89202861) has the molecular formula C10H20F3P and a molecular weight of 228.24 g/mol. Its IUPAC name is dibutyl(2,2,2-trifluoroethyl)phosphane.

Molecular Properties

Compound Namedibutyl(2,2,2-trifluoroethyl)phosphane
PubChem CID89202861
Molecular FormulaC10H20F3P
Molecular Weight228.24 g/mol
Exact Mass228.13
IUPAC Namedibutyl(2,2,2-trifluoroethyl)phosphane
SMILESCCCCP(CCCC)CC(F)(F)F
InChIInChI=1S/C10H20F3P/c1-3-5-7-14(8-6-4-2)9-10(11,12)13/h3-9H2,1-2H3
InChIKeyXWRGVGBBGFMQPT-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dibutyl(2,2,2-trifluoroethyl)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 dibutyl(2,2,2-trifluoroethyl)phosphane?
The IUPAC name of dibutyl(2,2,2-trifluoroethyl)phosphane (CID 89202861) is dibutyl(2,2,2-trifluoroethyl)phosphane.
What is the SMILES notation for dibutyl(2,2,2-trifluoroethyl)phosphane?
The canonical SMILES for dibutyl(2,2,2-trifluoroethyl)phosphane is CCCCP(CCCC)CC(F)(F)F.
What is the InChIKey of dibutyl(2,2,2-trifluoroethyl)phosphane?
The InChIKey is XWRGVGBBGFMQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3P/c1-3-5-7-14(8-6-4-2)9-10(11,12)13/h3-9H2,1-2H3.
What are the key properties of dibutyl(2,2,2-trifluoroethyl)phosphane?
dibutyl(2,2,2-trifluoroethyl)phosphane has a molecular weight of 228.24 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(2,2,2-trifluoroethyl)phosphane is sourced from PubChem (CID 89202861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).