QCFJPVUGEBJHPE-UHFFFAOYSA-N

C8H15F2O5P — CID 10879818

IUPACethyl 2-diethoxyphosphoryl-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C8H15F2O5P/c1-4-13-7(11)8(9,10)16(12,14-5-2)15-6-3/h4-6H2,1-3H3
InChIKeyQCFJPVUGEBJHPE-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.41
Rot. Bonds7

About QCFJPVUGEBJHPE-UHFFFAOYSA-N

QCFJPVUGEBJHPE-UHFFFAOYSA-N (PubChem CID 10879818) has the molecular formula C8H15F2O5P and a molecular weight of 260.17 g/mol. Its IUPAC name is ethyl 2-diethoxyphosphoryl-2,2-difluoroacetate.

Molecular Properties

Compound NameQCFJPVUGEBJHPE-UHFFFAOYSA-N
PubChem CID10879818
Molecular FormulaC8H15F2O5P
Molecular Weight260.17 g/mol
Exact Mass260.06
IUPAC Nameethyl 2-diethoxyphosphoryl-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C8H15F2O5P/c1-4-13-7(11)8(9,10)16(12,14-5-2)15-6-3/h4-6H2,1-3H3
InChIKeyQCFJPVUGEBJHPE-UHFFFAOYSA-N
XLogP2.41
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of QCFJPVUGEBJHPE-UHFFFAOYSA-N?
The IUPAC name of QCFJPVUGEBJHPE-UHFFFAOYSA-N (CID 10879818) is ethyl 2-diethoxyphosphoryl-2,2-difluoroacetate.
What is the SMILES notation for QCFJPVUGEBJHPE-UHFFFAOYSA-N?
The canonical SMILES for QCFJPVUGEBJHPE-UHFFFAOYSA-N is CCOC(=O)C(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of QCFJPVUGEBJHPE-UHFFFAOYSA-N?
The InChIKey is QCFJPVUGEBJHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2O5P/c1-4-13-7(11)8(9,10)16(12,14-5-2)15-6-3/h4-6H2,1-3H3.
What are the key properties of QCFJPVUGEBJHPE-UHFFFAOYSA-N?
QCFJPVUGEBJHPE-UHFFFAOYSA-N has a molecular weight of 260.17 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for QCFJPVUGEBJHPE-UHFFFAOYSA-N is sourced from PubChem (CID 10879818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).