1-(3-fluorophenyl)benzo[e][1,2]benzoxazole

C17H10FNO — CID 102340932

IUPAC1-(3-fluorophenyl)benzo[e][1,2]benzoxazole
SMILESFc1cccc(-c2noc3ccc4ccccc4c23)c1
InChIInChI=1S/C17H10FNO/c18-13-6-3-5-12(10-13)17-16-14-7-2-1-4-11(14)8-9-15(16)20-19-17/h1-10H
InChIKeyZCMOVNYUBWKELD-UHFFFAOYSA-N
MW263.27 g/mol
LogP4.79
Rot. Bonds1

About 1-(3-fluorophenyl)benzo[e][1,2]benzoxazole

1-(3-fluorophenyl)benzo[e][1,2]benzoxazole (PubChem CID 102340932) has the molecular formula C17H10FNO and a molecular weight of 263.27 g/mol. Its IUPAC name is 1-(3-fluorophenyl)benzo[e][1,2]benzoxazole.

Molecular Properties

Compound Name1-(3-fluorophenyl)benzo[e][1,2]benzoxazole
PubChem CID102340932
Molecular FormulaC17H10FNO
Molecular Weight263.27 g/mol
Exact Mass263.07
IUPAC Name1-(3-fluorophenyl)benzo[e][1,2]benzoxazole
SMILESFc1cccc(-c2noc3ccc4ccccc4c23)c1
InChIInChI=1S/C17H10FNO/c18-13-6-3-5-12(10-13)17-16-14-7-2-1-4-11(14)8-9-15(16)20-19-17/h1-10H
InChIKeyZCMOVNYUBWKELD-UHFFFAOYSA-N
XLogP4.79
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)benzo[e][1,2]benzoxazole?
The IUPAC name of 1-(3-fluorophenyl)benzo[e][1,2]benzoxazole (CID 102340932) is 1-(3-fluorophenyl)benzo[e][1,2]benzoxazole.
What is the SMILES notation for 1-(3-fluorophenyl)benzo[e][1,2]benzoxazole?
The canonical SMILES for 1-(3-fluorophenyl)benzo[e][1,2]benzoxazole is Fc1cccc(-c2noc3ccc4ccccc4c23)c1.
What is the InChIKey of 1-(3-fluorophenyl)benzo[e][1,2]benzoxazole?
The InChIKey is ZCMOVNYUBWKELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FNO/c18-13-6-3-5-12(10-13)17-16-14-7-2-1-4-11(14)8-9-15(16)20-19-17/h1-10H.
What are the key properties of 1-(3-fluorophenyl)benzo[e][1,2]benzoxazole?
1-(3-fluorophenyl)benzo[e][1,2]benzoxazole has a molecular weight of 263.27 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)benzo[e][1,2]benzoxazole is sourced from PubChem (CID 102340932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).