1,1,2,2,2-pentafluoroethylphosphonic acid dichloride

C2H2Cl2F5O3P-2 — CID 53432341

IUPAC1,1,2,2,2-pentafluoroethylphosphonic acid dichloride
SMILESO=P(O)(O)C(F)(F)C(F)(F)F.[Cl-].[Cl-]
InChIInChI=1S/C2H2F5O3P.2ClH/c3-1(4,5)2(6,7)11(8,9)10;;/h(H2,8,9,10);2*1H/p-2
InChIKeyNEBLZSLJQLOLGO-UHFFFAOYSA-L
MW270.91 g/mol
LogP-4.67
Rot. Bonds1

About 1,1,2,2,2-pentafluoroethylphosphonic acid dichloride

1,1,2,2,2-pentafluoroethylphosphonic acid dichloride (PubChem CID 53432341) has the molecular formula C2H2Cl2F5O3P-2 and a molecular weight of 270.91 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethylphosphonic acid dichloride.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethylphosphonic acid dichloride
PubChem CID53432341
Molecular FormulaC2H2Cl2F5O3P-2
Molecular Weight270.91 g/mol
Exact Mass269.90
IUPAC Name1,1,2,2,2-pentafluoroethylphosphonic acid dichloride
SMILESO=P(O)(O)C(F)(F)C(F)(F)F.[Cl-].[Cl-]
InChIInChI=1S/C2H2F5O3P.2ClH/c3-1(4,5)2(6,7)11(8,9)10;;/h(H2,8,9,10);2*1H/p-2
InChIKeyNEBLZSLJQLOLGO-UHFFFAOYSA-L
XLogP-4.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.91
LogP ≤ 5-4.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[1,1,2,2,3,3,4,5,5,6,6,6-dodecafluoro-4-(1,1,2,2,2-pentafluoroethyl)hexyl]phosphonic acid
CID 87155338
(2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid
CID 163324645
1,1,1,2,2,2-hexafluoroethane;phosphoric acid
CID 159148142
methoxy(1,1,2,2,2-pentafluoroethyl)phosphinic acid
CID 75530351
(10-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecyl)phosphonic acid
CID 163324651
1,1,1,2,2,3,4,4,5,5,5-undecafluoropentan-3-ylphosphonic acid
CID 87154822
[dibromo(fluoro)methyl]phosphonic acid
CID 143170448
1,1-difluoroethylphosphonic acid
CID 23183684
1-dimethylphosphoryl-1,1,2,2,2-pentafluoroethane
CID 87128112
1-[amino(1,1,2,2,2-pentafluoroethyl)phosphoryl]-1,1,2,2,2-pentafluoroethane
CID 87118110
[[[difluoro(phosphono)methyl]-hydroxyphosphoryl]-difluoromethyl]phosphonic acid
CID 102047871
disodium;dioxido-oxo-(1,1,2,2,2-pentafluoroethyl)-λ5-phosphane
CID 121334472

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethylphosphonic acid dichloride?
The IUPAC name of 1,1,2,2,2-pentafluoroethylphosphonic acid dichloride (CID 53432341) is 1,1,2,2,2-pentafluoroethylphosphonic acid dichloride.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethylphosphonic acid dichloride?
The canonical SMILES for 1,1,2,2,2-pentafluoroethylphosphonic acid dichloride is O=P(O)(O)C(F)(F)C(F)(F)F.[Cl-].[Cl-].
What is the InChIKey of 1,1,2,2,2-pentafluoroethylphosphonic acid dichloride?
The InChIKey is NEBLZSLJQLOLGO-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2F5O3P.2ClH/c3-1(4,5)2(6,7)11(8,9)10;;/h(H2,8,9,10);2*1H/p-2.
What are the key properties of 1,1,2,2,2-pentafluoroethylphosphonic acid dichloride?
1,1,2,2,2-pentafluoroethylphosphonic acid dichloride has a molecular weight of 270.91 g/mol, XLogP of -4.67, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethylphosphonic acid dichloride is sourced from PubChem (CID 53432341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).