4-diethoxyphosphoryl-4,4-difluorobutan-1-ol

C8H17F2O4P — CID 23129824

IUPAC4-diethoxyphosphoryl-4,4-difluorobutan-1-ol
SMILESCCOP(=O)(OCC)C(F)(F)CCCO
InChIInChI=1S/C8H17F2O4P/c1-3-13-15(12,14-4-2)8(9,10)6-5-7-11/h11H,3-7H2,1-2H3
InChIKeyMHZNTVSSDMBQEA-UHFFFAOYSA-N
MW246.19 g/mol
LogP2.62
Rot. Bonds8

About 4-diethoxyphosphoryl-4,4-difluorobutan-1-ol

4-diethoxyphosphoryl-4,4-difluorobutan-1-ol (PubChem CID 23129824) has the molecular formula C8H17F2O4P and a molecular weight of 246.19 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-4,4-difluorobutan-1-ol.

Molecular Properties

Compound Name4-diethoxyphosphoryl-4,4-difluorobutan-1-ol
PubChem CID23129824
Molecular FormulaC8H17F2O4P
Molecular Weight246.19 g/mol
Exact Mass246.08
IUPAC Name4-diethoxyphosphoryl-4,4-difluorobutan-1-ol
SMILESCCOP(=O)(OCC)C(F)(F)CCCO
InChIInChI=1S/C8H17F2O4P/c1-3-13-15(12,14-4-2)8(9,10)6-5-7-11/h11H,3-7H2,1-2H3
InChIKeyMHZNTVSSDMBQEA-UHFFFAOYSA-N
XLogP2.62
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-4,4-difluorobutan-1-ol?
The IUPAC name of 4-diethoxyphosphoryl-4,4-difluorobutan-1-ol (CID 23129824) is 4-diethoxyphosphoryl-4,4-difluorobutan-1-ol.
What is the SMILES notation for 4-diethoxyphosphoryl-4,4-difluorobutan-1-ol?
The canonical SMILES for 4-diethoxyphosphoryl-4,4-difluorobutan-1-ol is CCOP(=O)(OCC)C(F)(F)CCCO.
What is the InChIKey of 4-diethoxyphosphoryl-4,4-difluorobutan-1-ol?
The InChIKey is MHZNTVSSDMBQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2O4P/c1-3-13-15(12,14-4-2)8(9,10)6-5-7-11/h11H,3-7H2,1-2H3.
What are the key properties of 4-diethoxyphosphoryl-4,4-difluorobutan-1-ol?
4-diethoxyphosphoryl-4,4-difluorobutan-1-ol has a molecular weight of 246.19 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-4,4-difluorobutan-1-ol is sourced from PubChem (CID 23129824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).