3-diethoxyphosphoryl-3,3-difluoroprop-1-yne

C7H11F2O3P — CID 10488710

IUPAC3-diethoxyphosphoryl-3,3-difluoroprop-1-yne
SMILESC#CC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C7H11F2O3P/c1-4-7(8,9)13(10,11-5-2)12-6-3/h1H,5-6H2,2-3H3
InChIKeyYMOYZORTXIMBGF-UHFFFAOYSA-N
MW212.13 g/mol
LogP2.48
Rot. Bonds5

About 3-diethoxyphosphoryl-3,3-difluoroprop-1-yne

3-diethoxyphosphoryl-3,3-difluoroprop-1-yne (PubChem CID 10488710) has the molecular formula C7H11F2O3P and a molecular weight of 212.13 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-3,3-difluoroprop-1-yne.

Molecular Properties

Compound Name3-diethoxyphosphoryl-3,3-difluoroprop-1-yne
PubChem CID10488710
Molecular FormulaC7H11F2O3P
Molecular Weight212.13 g/mol
Exact Mass212.04
IUPAC Name3-diethoxyphosphoryl-3,3-difluoroprop-1-yne
SMILESC#CC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C7H11F2O3P/c1-4-7(8,9)13(10,11-5-2)12-6-3/h1H,5-6H2,2-3H3
InChIKeyYMOYZORTXIMBGF-UHFFFAOYSA-N
XLogP2.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.13
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 2758305
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CID 12503717
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CID 11009757
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CID 57398511
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CID 13736768
CID 13736768
CID 10013537
CID 10013537
CID 12045240
CID 12045240
CID 12045242
CID 12045242
CID 60153085
CID 60153085
CID 86173521
CID 86173521
CID 102450606
CID 102450606
CID 13201875
CID 13201875

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-3,3-difluoroprop-1-yne?
The IUPAC name of 3-diethoxyphosphoryl-3,3-difluoroprop-1-yne (CID 10488710) is 3-diethoxyphosphoryl-3,3-difluoroprop-1-yne.
What is the SMILES notation for 3-diethoxyphosphoryl-3,3-difluoroprop-1-yne?
The canonical SMILES for 3-diethoxyphosphoryl-3,3-difluoroprop-1-yne is C#CC(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of 3-diethoxyphosphoryl-3,3-difluoroprop-1-yne?
The InChIKey is YMOYZORTXIMBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2O3P/c1-4-7(8,9)13(10,11-5-2)12-6-3/h1H,5-6H2,2-3H3.
What are the key properties of 3-diethoxyphosphoryl-3,3-difluoroprop-1-yne?
3-diethoxyphosphoryl-3,3-difluoroprop-1-yne has a molecular weight of 212.13 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-3,3-difluoroprop-1-yne is sourced from PubChem (CID 10488710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).