3-fluoro-4-phthalazin-1-yloxyaniline

C14H10FN3O — CID 43517076

IUPAC3-fluoro-4-phthalazin-1-yloxyaniline
SMILESNc1ccc(Oc2nncc3ccccc23)c(F)c1
InChIInChI=1S/C14H10FN3O/c15-12-7-10(16)5-6-13(12)19-14-11-4-2-1-3-9(11)8-17-18-14/h1-8H,16H2
InChIKeySBDUMPPNDMPFBF-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.14
Rot. Bonds2

About 3-fluoro-4-phthalazin-1-yloxyaniline

3-fluoro-4-phthalazin-1-yloxyaniline (PubChem CID 43517076) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-fluoro-4-phthalazin-1-yloxyaniline.

Molecular Properties

Compound Name3-fluoro-4-phthalazin-1-yloxyaniline
PubChem CID43517076
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name3-fluoro-4-phthalazin-1-yloxyaniline
SMILESNc1ccc(Oc2nncc3ccccc23)c(F)c1
InChIInChI=1S/C14H10FN3O/c15-12-7-10(16)5-6-13(12)19-14-11-4-2-1-3-9(11)8-17-18-14/h1-8H,16H2
InChIKeySBDUMPPNDMPFBF-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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Related Compounds

1-(5-amino-2-phthalazin-1-yloxyphenyl)ethanone
CID 116541453
3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline
CID 62375219
5-methyl-2-phthalazin-1-yloxybenzoic acid
CID 61396297
3-methyl-4-phthalazin-1-yloxybenzoic acid
CID 107672852
1-(4-bromo-3-methylphenoxy)phthalazine
CID 83141017
3-chloro-4-phthalazin-1-yloxybenzoic acid
CID 61396381
4-(2-aminophenoxy)-3-fluoroaniline
CID 66486737
3-fluoro-4-[(3-phenyl-4-pyridinyl)oxy]aniline
CID 89231827
3-fluoro-4-(naphthalen-1-ylmethoxy)aniline
CID 26190143
phthalazin-1-yl methanesulfonate
CID 173162760
[3-fluoro-4-(4-methylphthalazin-1-yl)oxyphenyl]methanamine
CID 107667286
2-oxopropanedial;tetrakis(1-phthalazin-1-yloxyphthalazine)
CID 174500903

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-phthalazin-1-yloxyaniline?
The IUPAC name of 3-fluoro-4-phthalazin-1-yloxyaniline (CID 43517076) is 3-fluoro-4-phthalazin-1-yloxyaniline.
What is the SMILES notation for 3-fluoro-4-phthalazin-1-yloxyaniline?
The canonical SMILES for 3-fluoro-4-phthalazin-1-yloxyaniline is Nc1ccc(Oc2nncc3ccccc23)c(F)c1.
What is the InChIKey of 3-fluoro-4-phthalazin-1-yloxyaniline?
The InChIKey is SBDUMPPNDMPFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-12-7-10(16)5-6-13(12)19-14-11-4-2-1-3-9(11)8-17-18-14/h1-8H,16H2.
What are the key properties of 3-fluoro-4-phthalazin-1-yloxyaniline?
3-fluoro-4-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 3-fluoro-4-phthalazin-1-yloxyaniline is sourced from PubChem (CID 43517076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).