5-fluoro-2-phthalazin-1-yloxyaniline

C14H10FN3O — CID 62368016

IUPAC5-fluoro-2-phthalazin-1-yloxyaniline
SMILESNc1cc(F)ccc1Oc1nncc2ccccc12
InChIInChI=1S/C14H10FN3O/c15-10-5-6-13(12(16)7-10)19-14-11-4-2-1-3-9(11)8-17-18-14/h1-8H,16H2
InChIKeyOQOPPLQGZTYIKZ-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.14
Rot. Bonds2

About 5-fluoro-2-phthalazin-1-yloxyaniline

5-fluoro-2-phthalazin-1-yloxyaniline (PubChem CID 62368016) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 5-fluoro-2-phthalazin-1-yloxyaniline.

Molecular Properties

Compound Name5-fluoro-2-phthalazin-1-yloxyaniline
PubChem CID62368016
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name5-fluoro-2-phthalazin-1-yloxyaniline
SMILESNc1cc(F)ccc1Oc1nncc2ccccc12
InChIInChI=1S/C14H10FN3O/c15-10-5-6-13(12(16)7-10)19-14-11-4-2-1-3-9(11)8-17-18-14/h1-8H,16H2
InChIKeyOQOPPLQGZTYIKZ-UHFFFAOYSA-N
XLogP3.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-phthalazin-1-yloxyaniline?
The IUPAC name of 5-fluoro-2-phthalazin-1-yloxyaniline (CID 62368016) is 5-fluoro-2-phthalazin-1-yloxyaniline.
What is the SMILES notation for 5-fluoro-2-phthalazin-1-yloxyaniline?
The canonical SMILES for 5-fluoro-2-phthalazin-1-yloxyaniline is Nc1cc(F)ccc1Oc1nncc2ccccc12.
What is the InChIKey of 5-fluoro-2-phthalazin-1-yloxyaniline?
The InChIKey is OQOPPLQGZTYIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-10-5-6-13(12(16)7-10)19-14-11-4-2-1-3-9(11)8-17-18-14/h1-8H,16H2.
What are the key properties of 5-fluoro-2-phthalazin-1-yloxyaniline?
5-fluoro-2-phthalazin-1-yloxyaniline has a molecular weight of 255.25 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-phthalazin-1-yloxyaniline is sourced from PubChem (CID 62368016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).