fluorobenzene;3-methyl-5,6-dihydro-4H-oxazine

C11H14FNO — CID 143617769

IUPACfluorobenzene;3-methyl-5,6-dihydro-4H-oxazine
SMILESCC1=NOCCC1.Fc1ccccc1
InChIInChI=1S/C6H5F.C5H9NO/c7-6-4-2-1-3-5-6;1-5-3-2-4-7-6-5/h1-5H;2-4H2,1H3
InChIKeyRTYYNKOMXSZRBQ-UHFFFAOYSA-N
MW195.24 g/mol
LogP3.00
Rot. Bonds

About fluorobenzene;3-methyl-5,6-dihydro-4H-oxazine

fluorobenzene;3-methyl-5,6-dihydro-4H-oxazine (PubChem CID 143617769) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is fluorobenzene;3-methyl-5,6-dihydro-4H-oxazine.

Molecular Properties

Compound Namefluorobenzene;3-methyl-5,6-dihydro-4H-oxazine
PubChem CID143617769
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Namefluorobenzene;3-methyl-5,6-dihydro-4H-oxazine
SMILESCC1=NOCCC1.Fc1ccccc1
InChIInChI=1S/C6H5F.C5H9NO/c7-6-4-2-1-3-5-6;1-5-3-2-4-7-6-5/h1-5H;2-4H2,1H3
InChIKeyRTYYNKOMXSZRBQ-UHFFFAOYSA-N
XLogP3.00
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of fluorobenzene;3-methyl-5,6-dihydro-4H-oxazine?
The IUPAC name of fluorobenzene;3-methyl-5,6-dihydro-4H-oxazine (CID 143617769) is fluorobenzene;3-methyl-5,6-dihydro-4H-oxazine.
What is the SMILES notation for fluorobenzene;3-methyl-5,6-dihydro-4H-oxazine?
The canonical SMILES for fluorobenzene;3-methyl-5,6-dihydro-4H-oxazine is CC1=NOCCC1.Fc1ccccc1.
What is the InChIKey of fluorobenzene;3-methyl-5,6-dihydro-4H-oxazine?
The InChIKey is RTYYNKOMXSZRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F.C5H9NO/c7-6-4-2-1-3-5-6;1-5-3-2-4-7-6-5/h1-5H;2-4H2,1H3.
What are the key properties of fluorobenzene;3-methyl-5,6-dihydro-4H-oxazine?
fluorobenzene;3-methyl-5,6-dihydro-4H-oxazine has a molecular weight of 195.24 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;3-methyl-5,6-dihydro-4H-oxazine is sourced from PubChem (CID 143617769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).