N-(4-fluorophenyl)phthalazin-1-amine

C14H10FN3 — CID 134152648

IUPACN-(4-fluorophenyl)phthalazin-1-amine
SMILESFc1ccc(Nc2nncc3ccccc23)cc1
InChIInChI=1S/C14H10FN3/c15-11-5-7-12(8-6-11)17-14-13-4-2-1-3-10(13)9-16-18-14/h1-9H,(H,17,18)
InChIKeyLOCGWCWPUSRMSW-UHFFFAOYSA-N
MW239.25 g/mol
LogP3.51
Rot. Bonds2

About N-(4-fluorophenyl)phthalazin-1-amine

N-(4-fluorophenyl)phthalazin-1-amine (PubChem CID 134152648) has the molecular formula C14H10FN3 and a molecular weight of 239.25 g/mol. Its IUPAC name is N-(4-fluorophenyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)phthalazin-1-amine
PubChem CID134152648
Molecular FormulaC14H10FN3
Molecular Weight239.25 g/mol
Exact Mass239.09
IUPAC NameN-(4-fluorophenyl)phthalazin-1-amine
SMILESFc1ccc(Nc2nncc3ccccc23)cc1
InChIInChI=1S/C14H10FN3/c15-11-5-7-12(8-6-11)17-14-13-4-2-1-3-10(13)9-16-18-14/h1-9H,(H,17,18)
InChIKeyLOCGWCWPUSRMSW-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)phthalazin-1-amine?
The IUPAC name of N-(4-fluorophenyl)phthalazin-1-amine (CID 134152648) is N-(4-fluorophenyl)phthalazin-1-amine.
What is the SMILES notation for N-(4-fluorophenyl)phthalazin-1-amine?
The canonical SMILES for N-(4-fluorophenyl)phthalazin-1-amine is Fc1ccc(Nc2nncc3ccccc23)cc1.
What is the InChIKey of N-(4-fluorophenyl)phthalazin-1-amine?
The InChIKey is LOCGWCWPUSRMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3/c15-11-5-7-12(8-6-11)17-14-13-4-2-1-3-10(13)9-16-18-14/h1-9H,(H,17,18).
What are the key properties of N-(4-fluorophenyl)phthalazin-1-amine?
N-(4-fluorophenyl)phthalazin-1-amine has a molecular weight of 239.25 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)phthalazin-1-amine is sourced from PubChem (CID 134152648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).