[3-chloro-5-(trifluoromethyl)furan-2-yl]phosphonic acid

C5H3ClF3O4P — CID 57025451

IUPAC[3-chloro-5-(trifluoromethyl)furan-2-yl]phosphonic acid
SMILESO=P(O)(O)c1oc(C(F)(F)F)cc1Cl
InChIInChI=1S/C5H3ClF3O4P/c6-2-1-3(5(7,8)9)13-4(2)14(10,11)12/h1H,(H2,10,11,12)
InChIKeyPLWBKQOECFGZRK-UHFFFAOYSA-N
MW250.50 g/mol
LogP1.75
Rot. Bonds1

About [3-chloro-5-(trifluoromethyl)furan-2-yl]phosphonic acid

[3-chloro-5-(trifluoromethyl)furan-2-yl]phosphonic acid (PubChem CID 57025451) has the molecular formula C5H3ClF3O4P and a molecular weight of 250.50 g/mol. Its IUPAC name is [3-chloro-5-(trifluoromethyl)furan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[3-chloro-5-(trifluoromethyl)furan-2-yl]phosphonic acid
PubChem CID57025451
Molecular FormulaC5H3ClF3O4P
Molecular Weight250.50 g/mol
Exact Mass249.94
IUPAC Name[3-chloro-5-(trifluoromethyl)furan-2-yl]phosphonic acid
SMILESO=P(O)(O)c1oc(C(F)(F)F)cc1Cl
InChIInChI=1S/C5H3ClF3O4P/c6-2-1-3(5(7,8)9)13-4(2)14(10,11)12/h1H,(H2,10,11,12)
InChIKeyPLWBKQOECFGZRK-UHFFFAOYSA-N
XLogP1.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.50
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-chloro-5-(trifluoromethyl)furan-2-yl]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(trifluoromethyl)furan-2-yl]phosphonic acid?
The IUPAC name of [3-chloro-5-(trifluoromethyl)furan-2-yl]phosphonic acid (CID 57025451) is [3-chloro-5-(trifluoromethyl)furan-2-yl]phosphonic acid.
What is the SMILES notation for [3-chloro-5-(trifluoromethyl)furan-2-yl]phosphonic acid?
The canonical SMILES for [3-chloro-5-(trifluoromethyl)furan-2-yl]phosphonic acid is O=P(O)(O)c1oc(C(F)(F)F)cc1Cl.
What is the InChIKey of [3-chloro-5-(trifluoromethyl)furan-2-yl]phosphonic acid?
The InChIKey is PLWBKQOECFGZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF3O4P/c6-2-1-3(5(7,8)9)13-4(2)14(10,11)12/h1H,(H2,10,11,12).
What are the key properties of [3-chloro-5-(trifluoromethyl)furan-2-yl]phosphonic acid?
[3-chloro-5-(trifluoromethyl)furan-2-yl]phosphonic acid has a molecular weight of 250.50 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(trifluoromethyl)furan-2-yl]phosphonic acid is sourced from PubChem (CID 57025451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).