2,2,2-trifluoro-1,3,2λ5-dioxaphospholane

C2H4F3O2P — CID 168864875

IUPAC2,2,2-trifluoro-1,3,2λ5-dioxaphospholane
SMILESFP1(F)(F)OCCO1
InChIInChI=1S/C2H4F3O2P/c3-8(4,5)6-1-2-7-8/h1-2H2
InChIKeySPARVIDQNFWSOJ-UHFFFAOYSA-N
MW148.02 g/mol
LogP2.07
Rot. Bonds

About 2,2,2-trifluoro-1,3,2λ5-dioxaphospholane

2,2,2-trifluoro-1,3,2λ5-dioxaphospholane (PubChem CID 168864875) has the molecular formula C2H4F3O2P and a molecular weight of 148.02 g/mol. Its IUPAC name is 2,2,2-trifluoro-1,3,2λ5-dioxaphospholane.

Molecular Properties

Compound Name2,2,2-trifluoro-1,3,2λ5-dioxaphospholane
PubChem CID168864875
Molecular FormulaC2H4F3O2P
Molecular Weight148.02 g/mol
Exact Mass147.99
IUPAC Name2,2,2-trifluoro-1,3,2λ5-dioxaphospholane
SMILESFP1(F)(F)OCCO1
InChIInChI=1S/C2H4F3O2P/c3-8(4,5)6-1-2-7-8/h1-2H2
InChIKeySPARVIDQNFWSOJ-UHFFFAOYSA-N
XLogP2.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.02
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-1,3,2λ5-dioxaphospholane 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 2,2,2-trifluoro-1,3,2λ5-dioxaphospholane?
The IUPAC name of 2,2,2-trifluoro-1,3,2λ5-dioxaphospholane (CID 168864875) is 2,2,2-trifluoro-1,3,2λ5-dioxaphospholane.
What is the SMILES notation for 2,2,2-trifluoro-1,3,2λ5-dioxaphospholane?
The canonical SMILES for 2,2,2-trifluoro-1,3,2λ5-dioxaphospholane is FP1(F)(F)OCCO1.
What is the InChIKey of 2,2,2-trifluoro-1,3,2λ5-dioxaphospholane?
The InChIKey is SPARVIDQNFWSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F3O2P/c3-8(4,5)6-1-2-7-8/h1-2H2.
What are the key properties of 2,2,2-trifluoro-1,3,2λ5-dioxaphospholane?
2,2,2-trifluoro-1,3,2λ5-dioxaphospholane has a molecular weight of 148.02 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1,3,2λ5-dioxaphospholane is sourced from PubChem (CID 168864875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).