3,5,5,5-tetrafluoropent-2-en-2-ylphosphonic acid

C5H7F4O3P — CID 154509952

IUPAC3,5,5,5-tetrafluoropent-2-en-2-ylphosphonic acid
SMILESCC(=C(F)CC(F)(F)F)P(=O)(O)O
InChIInChI=1S/C5H7F4O3P/c1-3(13(10,11)12)4(6)2-5(7,8)9/h2H2,1H3,(H2,10,11,12)
InChIKeyATSILWHWKSQKDI-UHFFFAOYSA-N
MW222.07 g/mol
LogP2.32
Rot. Bonds2

About 3,5,5,5-tetrafluoropent-2-en-2-ylphosphonic acid

3,5,5,5-tetrafluoropent-2-en-2-ylphosphonic acid (PubChem CID 154509952) has the molecular formula C5H7F4O3P and a molecular weight of 222.07 g/mol. Its IUPAC name is 3,5,5,5-tetrafluoropent-2-en-2-ylphosphonic acid.

Molecular Properties

Compound Name3,5,5,5-tetrafluoropent-2-en-2-ylphosphonic acid
PubChem CID154509952
Molecular FormulaC5H7F4O3P
Molecular Weight222.07 g/mol
Exact Mass222.01
IUPAC Name3,5,5,5-tetrafluoropent-2-en-2-ylphosphonic acid
SMILESCC(=C(F)CC(F)(F)F)P(=O)(O)O
InChIInChI=1S/C5H7F4O3P/c1-3(13(10,11)12)4(6)2-5(7,8)9/h2H2,1H3,(H2,10,11,12)
InChIKeyATSILWHWKSQKDI-UHFFFAOYSA-N
XLogP2.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluorohex-3-en-3-ylphosphonic acid
CID 123754543
[(E)-1,3-diphosphonobut-2-en-2-yl]phosphonic acid
CID 130302835
4,4,4-trifluoro-3-methyl-3-phosphonobutanoic acid
CID 87620822
N-ethyl-3,3,3-trifluoro-N-(2,2,2-trifluoroethyl)propanamide;phosphoric acid
CID 118123540
1,1-difluoroethylphosphonic acid
CID 23183684
4-chloro-1,1,1-trifluoropentan-3-one
CID 146236110
2-[ethyl(2,2,2-trifluoroethyl)phosphoryl]-1,1,1-trifluoroethane
CID 118247609
2-diethylphosphoryl-1,1,1-trifluoroethane
CID 87128168
[2-fluoro-2-methyl-1-(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid
CID 66796815
1,1,1,2,2,2-hexafluoroethane;phosphoric acid
CID 159148142
bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine
CID 171929952
methylphosphonic acid;bis(4,4,4-trifluorobutan-1-amine)
CID 171929841

Frequently Asked Questions

What is the IUPAC name of 3,5,5,5-tetrafluoropent-2-en-2-ylphosphonic acid?
The IUPAC name of 3,5,5,5-tetrafluoropent-2-en-2-ylphosphonic acid (CID 154509952) is 3,5,5,5-tetrafluoropent-2-en-2-ylphosphonic acid.
What is the SMILES notation for 3,5,5,5-tetrafluoropent-2-en-2-ylphosphonic acid?
The canonical SMILES for 3,5,5,5-tetrafluoropent-2-en-2-ylphosphonic acid is CC(=C(F)CC(F)(F)F)P(=O)(O)O.
What is the InChIKey of 3,5,5,5-tetrafluoropent-2-en-2-ylphosphonic acid?
The InChIKey is ATSILWHWKSQKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F4O3P/c1-3(13(10,11)12)4(6)2-5(7,8)9/h2H2,1H3,(H2,10,11,12).
What are the key properties of 3,5,5,5-tetrafluoropent-2-en-2-ylphosphonic acid?
3,5,5,5-tetrafluoropent-2-en-2-ylphosphonic acid has a molecular weight of 222.07 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5,5-tetrafluoropent-2-en-2-ylphosphonic acid is sourced from PubChem (CID 154509952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).