1,1,1,5-tetrafluoropent-4-en-2-ylphosphonic acid

C5H7F4O3P — CID 154510630

IUPAC1,1,1,5-tetrafluoropent-4-en-2-ylphosphonic acid
SMILESO=P(O)(O)C(CC=CF)C(F)(F)F
InChIInChI=1S/C5H7F4O3P/c6-3-1-2-4(5(7,8)9)13(10,11)12/h1,3-4H,2H2,(H2,10,11,12)
InChIKeyXJMJLKQFMSGWQO-UHFFFAOYSA-N
MW222.07 g/mol
LogP1.97
Rot. Bonds3

About 1,1,1,5-tetrafluoropent-4-en-2-ylphosphonic acid

1,1,1,5-tetrafluoropent-4-en-2-ylphosphonic acid (PubChem CID 154510630) has the molecular formula C5H7F4O3P and a molecular weight of 222.07 g/mol. Its IUPAC name is 1,1,1,5-tetrafluoropent-4-en-2-ylphosphonic acid.

Molecular Properties

Compound Name1,1,1,5-tetrafluoropent-4-en-2-ylphosphonic acid
PubChem CID154510630
Molecular FormulaC5H7F4O3P
Molecular Weight222.07 g/mol
Exact Mass222.01
IUPAC Name1,1,1,5-tetrafluoropent-4-en-2-ylphosphonic acid
SMILESO=P(O)(O)C(CC=CF)C(F)(F)F
InChIInChI=1S/C5H7F4O3P/c6-3-1-2-4(5(7,8)9)13(10,11)12/h1,3-4H,2H2,(H2,10,11,12)
InChIKeyXJMJLKQFMSGWQO-UHFFFAOYSA-N
XLogP1.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 51.97
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

(3-amino-1,1,1-trifluoropropan-2-yl)phosphonic acid
CID 154314425
bromo(trifluoro)methane;phosphoric acid
CID 172736690
1,1,1,5,5,5-hexafluoropentan-3-ylphosphonic acid
CID 22270252
4,4,4-trifluoro-2-phosphonobutanoic acid
CID 90279964
4-phosphonobut-2-enylphosphonic acid
CID 54391538
[(E)-4-phosphonobut-2-enyl]phosphonic acid
CID 19104465
dilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane
CID 174718444
1,1,1,2,2,2-hexafluoroethane;phosphoric acid
CID 159148142
5,5,5-trifluoropent-1-enyl dihydrogen phosphate
CID 175154770
[2,2,2-trifluoro-1-(2-methylbutan-2-yloxy)ethyl]phosphonic acid
CID 134344695
1,6-diphosphonohex-2-enylphosphonic acid
CID 140959845
methyl(4,4,4-trifluorobut-1-enyl)phosphinic acid
CID 154509976

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5-tetrafluoropent-4-en-2-ylphosphonic acid?
The IUPAC name of 1,1,1,5-tetrafluoropent-4-en-2-ylphosphonic acid (CID 154510630) is 1,1,1,5-tetrafluoropent-4-en-2-ylphosphonic acid.
What is the SMILES notation for 1,1,1,5-tetrafluoropent-4-en-2-ylphosphonic acid?
The canonical SMILES for 1,1,1,5-tetrafluoropent-4-en-2-ylphosphonic acid is O=P(O)(O)C(CC=CF)C(F)(F)F.
What is the InChIKey of 1,1,1,5-tetrafluoropent-4-en-2-ylphosphonic acid?
The InChIKey is XJMJLKQFMSGWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F4O3P/c6-3-1-2-4(5(7,8)9)13(10,11)12/h1,3-4H,2H2,(H2,10,11,12).
What are the key properties of 1,1,1,5-tetrafluoropent-4-en-2-ylphosphonic acid?
1,1,1,5-tetrafluoropent-4-en-2-ylphosphonic acid has a molecular weight of 222.07 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5-tetrafluoropent-4-en-2-ylphosphonic acid is sourced from PubChem (CID 154510630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).