2-(4-fluorophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine

C18H14FNO — CID 935359

IUPAC2-(4-fluorophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine
SMILESFc1ccc(N2COc3ccc4ccccc4c3C2)cc1
InChIInChI=1S/C18H14FNO/c19-14-6-8-15(9-7-14)20-11-17-16-4-2-1-3-13(16)5-10-18(17)21-12-20/h1-10H,11-12H2
InChIKeySWOYDMPVYKQBBK-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.34
Rot. Bonds1

About 2-(4-fluorophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine

2-(4-fluorophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine (PubChem CID 935359) has the molecular formula C18H14FNO and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine
PubChem CID935359
Molecular FormulaC18H14FNO
Molecular Weight279.31 g/mol
Exact Mass279.11
IUPAC Name2-(4-fluorophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine
SMILESFc1ccc(N2COc3ccc4ccccc4c3C2)cc1
InChIInChI=1S/C18H14FNO/c19-14-6-8-15(9-7-14)20-11-17-16-4-2-1-3-13(16)5-10-18(17)21-12-20/h1-10H,11-12H2
InChIKeySWOYDMPVYKQBBK-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine?
The IUPAC name of 2-(4-fluorophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine (CID 935359) is 2-(4-fluorophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine.
What is the SMILES notation for 2-(4-fluorophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine?
The canonical SMILES for 2-(4-fluorophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine is Fc1ccc(N2COc3ccc4ccccc4c3C2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine?
The InChIKey is SWOYDMPVYKQBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO/c19-14-6-8-15(9-7-14)20-11-17-16-4-2-1-3-13(16)5-10-18(17)21-12-20/h1-10H,11-12H2.
What are the key properties of 2-(4-fluorophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine?
2-(4-fluorophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine has a molecular weight of 279.31 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine is sourced from PubChem (CID 935359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).