7-(4-fluorophenyl)-1H-2,3-benzoxazin-4-amine

C14H11FN2O — CID 122534933

IUPAC7-(4-fluorophenyl)-1H-2,3-benzoxazin-4-amine
SMILESNC1=NOCc2cc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C14H11FN2O/c15-12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-18-17-14(13)16/h1-7H,8H2,(H2,16,17)
InChIKeyGOURSKKQXDZFKJ-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.64
Rot. Bonds1

About 7-(4-fluorophenyl)-1H-2,3-benzoxazin-4-amine

7-(4-fluorophenyl)-1H-2,3-benzoxazin-4-amine (PubChem CID 122534933) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-1H-2,3-benzoxazin-4-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-1H-2,3-benzoxazin-4-amine
PubChem CID122534933
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name7-(4-fluorophenyl)-1H-2,3-benzoxazin-4-amine
SMILESNC1=NOCc2cc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C14H11FN2O/c15-12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-18-17-14(13)16/h1-7H,8H2,(H2,16,17)
InChIKeyGOURSKKQXDZFKJ-UHFFFAOYSA-N
XLogP2.64
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-1H-2,3-benzoxazin-4-amine?
The IUPAC name of 7-(4-fluorophenyl)-1H-2,3-benzoxazin-4-amine (CID 122534933) is 7-(4-fluorophenyl)-1H-2,3-benzoxazin-4-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-1H-2,3-benzoxazin-4-amine?
The canonical SMILES for 7-(4-fluorophenyl)-1H-2,3-benzoxazin-4-amine is NC1=NOCc2cc(-c3ccc(F)cc3)ccc21.
What is the InChIKey of 7-(4-fluorophenyl)-1H-2,3-benzoxazin-4-amine?
The InChIKey is GOURSKKQXDZFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-18-17-14(13)16/h1-7H,8H2,(H2,16,17).
What are the key properties of 7-(4-fluorophenyl)-1H-2,3-benzoxazin-4-amine?
7-(4-fluorophenyl)-1H-2,3-benzoxazin-4-amine has a molecular weight of 242.25 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-1H-2,3-benzoxazin-4-amine is sourced from PubChem (CID 122534933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).