(3-amino-7-fluoro-2-oxo-3,4-dihydrochromen-6-yl)methylphosphonic acid

C10H11FNO5P — CID 139673253

IUPAC(3-amino-7-fluoro-2-oxo-3,4-dihydrochromen-6-yl)methylphosphonic acid
SMILESNC1Cc2cc(CP(=O)(O)O)c(F)cc2OC1=O
InChIInChI=1S/C10H11FNO5P/c11-7-3-9-5(2-8(12)10(13)17-9)1-6(7)4-18(14,15)16/h1,3,8H,2,4,12H2,(H2,14,15,16)
InChIKeyWEPIICYVDFSMKU-UHFFFAOYSA-N
MW275.17 g/mol
LogP0.29
Rot. Bonds2

About (3-amino-7-fluoro-2-oxo-3,4-dihydrochromen-6-yl)methylphosphonic acid

(3-amino-7-fluoro-2-oxo-3,4-dihydrochromen-6-yl)methylphosphonic acid (PubChem CID 139673253) has the molecular formula C10H11FNO5P and a molecular weight of 275.17 g/mol. Its IUPAC name is (3-amino-7-fluoro-2-oxo-3,4-dihydrochromen-6-yl)methylphosphonic acid.

Molecular Properties

Compound Name(3-amino-7-fluoro-2-oxo-3,4-dihydrochromen-6-yl)methylphosphonic acid
PubChem CID139673253
Molecular FormulaC10H11FNO5P
Molecular Weight275.17 g/mol
Exact Mass275.04
IUPAC Name(3-amino-7-fluoro-2-oxo-3,4-dihydrochromen-6-yl)methylphosphonic acid
SMILESNC1Cc2cc(CP(=O)(O)O)c(F)cc2OC1=O
InChIInChI=1S/C10H11FNO5P/c11-7-3-9-5(2-8(12)10(13)17-9)1-6(7)4-18(14,15)16/h1,3,8H,2,4,12H2,(H2,14,15,16)
InChIKeyWEPIICYVDFSMKU-UHFFFAOYSA-N
XLogP0.29
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-7-fluoro-2-oxo-3,4-dihydrochromen-6-yl)methylphosphonic acid?
The IUPAC name of (3-amino-7-fluoro-2-oxo-3,4-dihydrochromen-6-yl)methylphosphonic acid (CID 139673253) is (3-amino-7-fluoro-2-oxo-3,4-dihydrochromen-6-yl)methylphosphonic acid.
What is the SMILES notation for (3-amino-7-fluoro-2-oxo-3,4-dihydrochromen-6-yl)methylphosphonic acid?
The canonical SMILES for (3-amino-7-fluoro-2-oxo-3,4-dihydrochromen-6-yl)methylphosphonic acid is NC1Cc2cc(CP(=O)(O)O)c(F)cc2OC1=O.
What is the InChIKey of (3-amino-7-fluoro-2-oxo-3,4-dihydrochromen-6-yl)methylphosphonic acid?
The InChIKey is WEPIICYVDFSMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FNO5P/c11-7-3-9-5(2-8(12)10(13)17-9)1-6(7)4-18(14,15)16/h1,3,8H,2,4,12H2,(H2,14,15,16).
What are the key properties of (3-amino-7-fluoro-2-oxo-3,4-dihydrochromen-6-yl)methylphosphonic acid?
(3-amino-7-fluoro-2-oxo-3,4-dihydrochromen-6-yl)methylphosphonic acid has a molecular weight of 275.17 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-7-fluoro-2-oxo-3,4-dihydrochromen-6-yl)methylphosphonic acid is sourced from PubChem (CID 139673253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).