(2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid

C2H2ClF4O3P — CID 163324645

IUPAC(2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid
SMILESO=P(O)(O)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C2H2ClF4O3P/c3-1(4,5)2(6,7)11(8,9)10/h(H2,8,9,10)
InChIKeySUFBOCQXINFMGT-UHFFFAOYSA-N
MW216.45 g/mol
LogP1.59
Rot. Bonds2

About (2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid

(2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid (PubChem CID 163324645) has the molecular formula C2H2ClF4O3P and a molecular weight of 216.45 g/mol. Its IUPAC name is (2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid.

Molecular Properties

Compound Name(2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid
PubChem CID163324645
Molecular FormulaC2H2ClF4O3P
Molecular Weight216.45 g/mol
Exact Mass215.94
IUPAC Name(2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid
SMILESO=P(O)(O)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C2H2ClF4O3P/c3-1(4,5)2(6,7)11(8,9)10/h(H2,8,9,10)
InChIKeySUFBOCQXINFMGT-UHFFFAOYSA-N
XLogP1.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.45
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(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
1,1,2,2,2-pentafluoroethylphosphonic acid dichloride
CID 53432341
[dichloro(phosphono)methyl]phosphonic acid
CID 25419
[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
1,1-difluoroethylphosphonic acid
CID 23183684
[dibromo(fluoro)methyl]phosphonic acid
CID 143170448
1,1,1,2-tetrachloro-2,2-difluoroethane
CID 6426
1,1,1,2,2,2-hexafluoroethane;phosphoric acid
CID 159148142
[[[difluoro(phosphono)methyl]-hydroxyphosphoryl]-difluoromethyl]phosphonic acid
CID 102047871
magnesium;ethane;1,1,1,3,3,3-hexafluoropropane;phosphoric acid
CID 158730152
[dichloro(phosphono)methyl]phosphonic acid;methanamine
CID 172784939
bromo(trifluoro)methane;phosphoric acid
CID 172736690

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid?
The IUPAC name of (2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid (CID 163324645) is (2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid.
What is the SMILES notation for (2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid?
The canonical SMILES for (2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid is O=P(O)(O)C(F)(F)C(F)(F)Cl.
What is the InChIKey of (2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid?
The InChIKey is SUFBOCQXINFMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2ClF4O3P/c3-1(4,5)2(6,7)11(8,9)10/h(H2,8,9,10).
What are the key properties of (2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid?
(2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid has a molecular weight of 216.45 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid is sourced from PubChem (CID 163324645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).