2-fluoro-3-methyl-2H-1,4-benzoxazine

C9H8FNO — CID 151953033

IUPAC2-fluoro-3-methyl-2H-1,4-benzoxazine
SMILESCC1=Nc2ccccc2OC1F
InChIInChI=1S/C9H8FNO/c1-6-9(10)12-8-5-3-2-4-7(8)11-6/h2-5,9H,1H3
InChIKeyTXBIWDIRZOASFC-UHFFFAOYSA-N
MW165.17 g/mol
LogP2.47
Rot. Bonds

About 2-fluoro-3-methyl-2H-1,4-benzoxazine

2-fluoro-3-methyl-2H-1,4-benzoxazine (PubChem CID 151953033) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-fluoro-3-methyl-2H-1,4-benzoxazine
PubChem CID151953033
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name2-fluoro-3-methyl-2H-1,4-benzoxazine
SMILESCC1=Nc2ccccc2OC1F
InChIInChI=1S/C9H8FNO/c1-6-9(10)12-8-5-3-2-4-7(8)11-6/h2-5,9H,1H3
InChIKeyTXBIWDIRZOASFC-UHFFFAOYSA-N
XLogP2.47
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2H-1,4-benzoxazine?
The IUPAC name of 2-fluoro-3-methyl-2H-1,4-benzoxazine (CID 151953033) is 2-fluoro-3-methyl-2H-1,4-benzoxazine.
What is the SMILES notation for 2-fluoro-3-methyl-2H-1,4-benzoxazine?
The canonical SMILES for 2-fluoro-3-methyl-2H-1,4-benzoxazine is CC1=Nc2ccccc2OC1F.
What is the InChIKey of 2-fluoro-3-methyl-2H-1,4-benzoxazine?
The InChIKey is TXBIWDIRZOASFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-6-9(10)12-8-5-3-2-4-7(8)11-6/h2-5,9H,1H3.
What are the key properties of 2-fluoro-3-methyl-2H-1,4-benzoxazine?
2-fluoro-3-methyl-2H-1,4-benzoxazine has a molecular weight of 165.17 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2H-1,4-benzoxazine is sourced from PubChem (CID 151953033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).