[fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phosphonic acid

C7H11FNO3PS — CID 19025771

IUPAC[fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phosphonic acid
SMILESCC(C)c1csc(C(F)P(=O)(O)O)n1
InChIInChI=1S/C7H11FNO3PS/c1-4(2)5-3-14-7(9-5)6(8)13(10,11)12/h3-4,6H,1-2H3,(H2,10,11,12)
InChIKeyPBVSEFNPDUIAJE-UHFFFAOYSA-N
MW239.21 g/mol
LogP2.41
Rot. Bonds3

About [fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phosphonic acid

[fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phosphonic acid (PubChem CID 19025771) has the molecular formula C7H11FNO3PS and a molecular weight of 239.21 g/mol. Its IUPAC name is [fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phosphonic acid.

Molecular Properties

Compound Name[fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phosphonic acid
PubChem CID19025771
Molecular FormulaC7H11FNO3PS
Molecular Weight239.21 g/mol
Exact Mass239.02
IUPAC Name[fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phosphonic acid
SMILESCC(C)c1csc(C(F)P(=O)(O)O)n1
InChIInChI=1S/C7H11FNO3PS/c1-4(2)5-3-14-7(9-5)6(8)13(10,11)12/h3-4,6H,1-2H3,(H2,10,11,12)
InChIKeyPBVSEFNPDUIAJE-UHFFFAOYSA-N
XLogP2.41
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phosphonic acid?
The IUPAC name of [fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phosphonic acid (CID 19025771) is [fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phosphonic acid.
What is the SMILES notation for [fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phosphonic acid?
The canonical SMILES for [fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phosphonic acid is CC(C)c1csc(C(F)P(=O)(O)O)n1.
What is the InChIKey of [fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phosphonic acid?
The InChIKey is PBVSEFNPDUIAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FNO3PS/c1-4(2)5-3-14-7(9-5)6(8)13(10,11)12/h3-4,6H,1-2H3,(H2,10,11,12).
What are the key properties of [fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phosphonic acid?
[fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phosphonic acid has a molecular weight of 239.21 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phosphonic acid is sourced from PubChem (CID 19025771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).