1-difluorophosphoryloxy-2-fluoroethane

C2H4F3O2P — CID 87222054

IUPAC1-difluorophosphoryloxy-2-fluoroethane
SMILESO=P(F)(F)OCCF
InChIInChI=1S/C2H4F3O2P/c3-1-2-7-8(4,5)6/h1-2H2
InChIKeyHKEMDSWHALFBQT-UHFFFAOYSA-N
MW148.02 g/mol
LogP2.02
Rot. Bonds3

About 1-difluorophosphoryloxy-2-fluoroethane

1-difluorophosphoryloxy-2-fluoroethane (PubChem CID 87222054) has the molecular formula C2H4F3O2P and a molecular weight of 148.02 g/mol. Its IUPAC name is 1-difluorophosphoryloxy-2-fluoroethane.

Molecular Properties

Compound Name1-difluorophosphoryloxy-2-fluoroethane
PubChem CID87222054
Molecular FormulaC2H4F3O2P
Molecular Weight148.02 g/mol
Exact Mass147.99
IUPAC Name1-difluorophosphoryloxy-2-fluoroethane
SMILESO=P(F)(F)OCCF
InChIInChI=1S/C2H4F3O2P/c3-1-2-7-8(4,5)6/h1-2H2
InChIKeyHKEMDSWHALFBQT-UHFFFAOYSA-N
XLogP2.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.02
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-difluorophosphoryloxy-2-fluoroethane?
The IUPAC name of 1-difluorophosphoryloxy-2-fluoroethane (CID 87222054) is 1-difluorophosphoryloxy-2-fluoroethane.
What is the SMILES notation for 1-difluorophosphoryloxy-2-fluoroethane?
The canonical SMILES for 1-difluorophosphoryloxy-2-fluoroethane is O=P(F)(F)OCCF.
What is the InChIKey of 1-difluorophosphoryloxy-2-fluoroethane?
The InChIKey is HKEMDSWHALFBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F3O2P/c3-1-2-7-8(4,5)6/h1-2H2.
What are the key properties of 1-difluorophosphoryloxy-2-fluoroethane?
1-difluorophosphoryloxy-2-fluoroethane has a molecular weight of 148.02 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-difluorophosphoryloxy-2-fluoroethane is sourced from PubChem (CID 87222054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).