1-difluorophosphoryloxy-2,3,4,5,6-pentafluorobenzene

C6F7O2P — CID 87221962

IUPAC1-difluorophosphoryloxy-2,3,4,5,6-pentafluorobenzene
SMILESO=P(F)(F)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6F7O2P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14
InChIKeyNZZQUTTYSMGDKK-UHFFFAOYSA-N
MW268.02 g/mol
LogP3.81
Rot. Bonds2

About 1-difluorophosphoryloxy-2,3,4,5,6-pentafluorobenzene

1-difluorophosphoryloxy-2,3,4,5,6-pentafluorobenzene (PubChem CID 87221962) has the molecular formula C6F7O2P and a molecular weight of 268.02 g/mol. Its IUPAC name is 1-difluorophosphoryloxy-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-difluorophosphoryloxy-2,3,4,5,6-pentafluorobenzene
PubChem CID87221962
Molecular FormulaC6F7O2P
Molecular Weight268.02 g/mol
Exact Mass267.95
IUPAC Name1-difluorophosphoryloxy-2,3,4,5,6-pentafluorobenzene
SMILESO=P(F)(F)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6F7O2P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14
InChIKeyNZZQUTTYSMGDKK-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.02
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-difluorophosphoryloxy-2,3,4,5,6-pentafluorobenzene 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-difluorophosphoryloxy-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-difluorophosphoryloxy-2,3,4,5,6-pentafluorobenzene (CID 87221962) is 1-difluorophosphoryloxy-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-difluorophosphoryloxy-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-difluorophosphoryloxy-2,3,4,5,6-pentafluorobenzene is O=P(F)(F)Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-difluorophosphoryloxy-2,3,4,5,6-pentafluorobenzene?
The InChIKey is NZZQUTTYSMGDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F7O2P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14.
What are the key properties of 1-difluorophosphoryloxy-2,3,4,5,6-pentafluorobenzene?
1-difluorophosphoryloxy-2,3,4,5,6-pentafluorobenzene has a molecular weight of 268.02 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-difluorophosphoryloxy-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 87221962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).