8-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-1,3-benzoxazine

C14H14FNO — CID 123224556

IUPAC8-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-1,3-benzoxazine
SMILESFc1ccc(C2CCCC3=C2OCN=C3)cc1
InChIInChI=1S/C14H14FNO/c15-12-6-4-10(5-7-12)13-3-1-2-11-8-16-9-17-14(11)13/h4-8,13H,1-3,9H2
InChIKeyPTEQOEFZVAXNCW-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.41
Rot. Bonds1

About 8-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-1,3-benzoxazine

8-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-1,3-benzoxazine (PubChem CID 123224556) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-1,3-benzoxazine.

Molecular Properties

Compound Name8-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-1,3-benzoxazine
PubChem CID123224556
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name8-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-1,3-benzoxazine
SMILESFc1ccc(C2CCCC3=C2OCN=C3)cc1
InChIInChI=1S/C14H14FNO/c15-12-6-4-10(5-7-12)13-3-1-2-11-8-16-9-17-14(11)13/h4-8,13H,1-3,9H2
InChIKeyPTEQOEFZVAXNCW-UHFFFAOYSA-N
XLogP3.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-1,3-benzoxazine?
The IUPAC name of 8-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-1,3-benzoxazine (CID 123224556) is 8-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-1,3-benzoxazine.
What is the SMILES notation for 8-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-1,3-benzoxazine?
The canonical SMILES for 8-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-1,3-benzoxazine is Fc1ccc(C2CCCC3=C2OCN=C3)cc1.
What is the InChIKey of 8-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-1,3-benzoxazine?
The InChIKey is PTEQOEFZVAXNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c15-12-6-4-10(5-7-12)13-3-1-2-11-8-16-9-17-14(11)13/h4-8,13H,1-3,9H2.
What are the key properties of 8-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-1,3-benzoxazine?
8-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-1,3-benzoxazine has a molecular weight of 231.27 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-1,3-benzoxazine is sourced from PubChem (CID 123224556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).