[2-[fluoro(2H-triazol-4-yl)methyl]phenyl] dihydrogen phosphite

C9H9FN3O3P — CID 144905049

IUPAC[2-[fluoro(2H-triazol-4-yl)methyl]phenyl] dihydrogen phosphite
SMILESOP(O)Oc1ccccc1C(F)c1cn[nH]n1
InChIInChI=1S/C9H9FN3O3P/c10-9(7-5-11-13-12-7)6-3-1-2-4-8(6)16-17(14)15/h1-5,9,14-15H,(H,11,12,13)
InChIKeyPUAMBYHWCWLAOO-UHFFFAOYSA-N
MW257.16 g/mol
LogP1.45
Rot. Bonds4

About [2-[fluoro(2H-triazol-4-yl)methyl]phenyl] dihydrogen phosphite

[2-[fluoro(2H-triazol-4-yl)methyl]phenyl] dihydrogen phosphite (PubChem CID 144905049) has the molecular formula C9H9FN3O3P and a molecular weight of 257.16 g/mol. Its IUPAC name is [2-[fluoro(2H-triazol-4-yl)methyl]phenyl] dihydrogen phosphite.

Molecular Properties

Compound Name[2-[fluoro(2H-triazol-4-yl)methyl]phenyl] dihydrogen phosphite
PubChem CID144905049
Molecular FormulaC9H9FN3O3P
Molecular Weight257.16 g/mol
Exact Mass257.04
IUPAC Name[2-[fluoro(2H-triazol-4-yl)methyl]phenyl] dihydrogen phosphite
SMILESOP(O)Oc1ccccc1C(F)c1cn[nH]n1
InChIInChI=1S/C9H9FN3O3P/c10-9(7-5-11-13-12-7)6-3-1-2-4-8(6)16-17(14)15/h1-5,9,14-15H,(H,11,12,13)
InChIKeyPUAMBYHWCWLAOO-UHFFFAOYSA-N
XLogP1.45
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[fluoro(2H-triazol-4-yl)methyl]phenyl] dihydrogen phosphite?
The IUPAC name of [2-[fluoro(2H-triazol-4-yl)methyl]phenyl] dihydrogen phosphite (CID 144905049) is [2-[fluoro(2H-triazol-4-yl)methyl]phenyl] dihydrogen phosphite.
What is the SMILES notation for [2-[fluoro(2H-triazol-4-yl)methyl]phenyl] dihydrogen phosphite?
The canonical SMILES for [2-[fluoro(2H-triazol-4-yl)methyl]phenyl] dihydrogen phosphite is OP(O)Oc1ccccc1C(F)c1cn[nH]n1.
What is the InChIKey of [2-[fluoro(2H-triazol-4-yl)methyl]phenyl] dihydrogen phosphite?
The InChIKey is PUAMBYHWCWLAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN3O3P/c10-9(7-5-11-13-12-7)6-3-1-2-4-8(6)16-17(14)15/h1-5,9,14-15H,(H,11,12,13).
What are the key properties of [2-[fluoro(2H-triazol-4-yl)methyl]phenyl] dihydrogen phosphite?
[2-[fluoro(2H-triazol-4-yl)methyl]phenyl] dihydrogen phosphite has a molecular weight of 257.16 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[fluoro(2H-triazol-4-yl)methyl]phenyl] dihydrogen phosphite is sourced from PubChem (CID 144905049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).