7-fluoro-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine

C8H10FNO — CID 166944297

IUPAC7-fluoro-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine
SMILESFC1=CC2OCCNC2C=C1
InChIInChI=1S/C8H10FNO/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,7-8,10H,3-4H2
InChIKeyWJEMPPRFEIMBMG-UHFFFAOYSA-N
MW155.17 g/mol
LogP0.77
Rot. Bonds

About 7-fluoro-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine

7-fluoro-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine (PubChem CID 166944297) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 7-fluoro-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7-fluoro-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine
PubChem CID166944297
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name7-fluoro-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine
SMILESFC1=CC2OCCNC2C=C1
InChIInChI=1S/C8H10FNO/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,7-8,10H,3-4H2
InChIKeyWJEMPPRFEIMBMG-UHFFFAOYSA-N
XLogP0.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine?
The IUPAC name of 7-fluoro-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine (CID 166944297) is 7-fluoro-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine.
What is the SMILES notation for 7-fluoro-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine?
The canonical SMILES for 7-fluoro-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine is FC1=CC2OCCNC2C=C1.
What is the InChIKey of 7-fluoro-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine?
The InChIKey is WJEMPPRFEIMBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,7-8,10H,3-4H2.
What are the key properties of 7-fluoro-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine?
7-fluoro-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine has a molecular weight of 155.17 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine is sourced from PubChem (CID 166944297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).