1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene

C8H6F5O3P — CID 87247572

IUPAC1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene
SMILESO=P(F)(OCC(F)(F)F)Oc1ccccc1F
InChIInChI=1S/C8H6F5O3P/c9-6-3-1-2-4-7(6)16-17(13,14)15-5-8(10,11)12/h1-4H,5H2
InChIKeyVNAWMZQBSYBOIW-UHFFFAOYSA-N
MW276.10 g/mol
LogP3.86
Rot. Bonds4

About 1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene

1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene (PubChem CID 87247572) has the molecular formula C8H6F5O3P and a molecular weight of 276.10 g/mol. Its IUPAC name is 1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene.

Molecular Properties

Compound Name1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene
PubChem CID87247572
Molecular FormulaC8H6F5O3P
Molecular Weight276.10 g/mol
Exact Mass276.00
IUPAC Name1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene
SMILESO=P(F)(OCC(F)(F)F)Oc1ccccc1F
InChIInChI=1S/C8H6F5O3P/c9-6-3-1-2-4-7(6)16-17(13,14)15-5-8(10,11)12/h1-4H,5H2
InChIKeyVNAWMZQBSYBOIW-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene 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 1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene?
The IUPAC name of 1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene (CID 87247572) is 1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene.
What is the SMILES notation for 1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene?
The canonical SMILES for 1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene is O=P(F)(OCC(F)(F)F)Oc1ccccc1F.
What is the InChIKey of 1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene?
The InChIKey is VNAWMZQBSYBOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5O3P/c9-6-3-1-2-4-7(6)16-17(13,14)15-5-8(10,11)12/h1-4H,5H2.
What are the key properties of 1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene?
1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene has a molecular weight of 276.10 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene is sourced from PubChem (CID 87247572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).