3-chloro-1-diethoxyphosphoryl-1,1-difluoropropane

C7H14ClF2O3P — CID 10354761

IUPAC3-chloro-1-diethoxyphosphoryl-1,1-difluoropropane
SMILESCCOP(=O)(OCC)C(F)(F)CCCl
InChIInChI=1S/C7H14ClF2O3P/c1-3-12-14(11,13-4-2)7(9,10)5-6-8/h3-6H2,1-2H3
InChIKeyVANVVKMCILOEGI-UHFFFAOYSA-N
MW250.61 g/mol
LogP3.47
Rot. Bonds7

About 3-chloro-1-diethoxyphosphoryl-1,1-difluoropropane

3-chloro-1-diethoxyphosphoryl-1,1-difluoropropane (PubChem CID 10354761) has the molecular formula C7H14ClF2O3P and a molecular weight of 250.61 g/mol. Its IUPAC name is 3-chloro-1-diethoxyphosphoryl-1,1-difluoropropane.

Molecular Properties

Compound Name3-chloro-1-diethoxyphosphoryl-1,1-difluoropropane
PubChem CID10354761
Molecular FormulaC7H14ClF2O3P
Molecular Weight250.61 g/mol
Exact Mass250.03
IUPAC Name3-chloro-1-diethoxyphosphoryl-1,1-difluoropropane
SMILESCCOP(=O)(OCC)C(F)(F)CCCl
InChIInChI=1S/C7H14ClF2O3P/c1-3-12-14(11,13-4-2)7(9,10)5-6-8/h3-6H2,1-2H3
InChIKeyVANVVKMCILOEGI-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.61
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-diethoxyphosphoryl-1,1-difluoropropane?
The IUPAC name of 3-chloro-1-diethoxyphosphoryl-1,1-difluoropropane (CID 10354761) is 3-chloro-1-diethoxyphosphoryl-1,1-difluoropropane.
What is the SMILES notation for 3-chloro-1-diethoxyphosphoryl-1,1-difluoropropane?
The canonical SMILES for 3-chloro-1-diethoxyphosphoryl-1,1-difluoropropane is CCOP(=O)(OCC)C(F)(F)CCCl.
What is the InChIKey of 3-chloro-1-diethoxyphosphoryl-1,1-difluoropropane?
The InChIKey is VANVVKMCILOEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClF2O3P/c1-3-12-14(11,13-4-2)7(9,10)5-6-8/h3-6H2,1-2H3.
What are the key properties of 3-chloro-1-diethoxyphosphoryl-1,1-difluoropropane?
3-chloro-1-diethoxyphosphoryl-1,1-difluoropropane has a molecular weight of 250.61 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-diethoxyphosphoryl-1,1-difluoropropane is sourced from PubChem (CID 10354761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).