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

C9H8FNO — CID 175824558

IUPAC8-fluoro-2-methyl-4H-3,1-benzoxazine
SMILESCC1=Nc2c(F)cccc2CO1
InChIInChI=1S/C9H8FNO/c1-6-11-9-7(5-12-6)3-2-4-8(9)10/h2-4H,5H2,1H3
InChIKeySUUGIVKIGUWEEP-UHFFFAOYSA-N
MW165.17 g/mol
LogP2.41
Rot. Bonds

About 8-fluoro-2-methyl-4H-3,1-benzoxazine

8-fluoro-2-methyl-4H-3,1-benzoxazine (PubChem CID 175824558) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 8-fluoro-2-methyl-4H-3,1-benzoxazine.

Molecular Properties

Compound Name8-fluoro-2-methyl-4H-3,1-benzoxazine
PubChem CID175824558
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name8-fluoro-2-methyl-4H-3,1-benzoxazine
SMILESCC1=Nc2c(F)cccc2CO1
InChIInChI=1S/C9H8FNO/c1-6-11-9-7(5-12-6)3-2-4-8(9)10/h2-4H,5H2,1H3
InChIKeySUUGIVKIGUWEEP-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,8-dimethyl-4H-3,1-benzoxazine
CID 175824556
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4-fluoro-5-methyl-9H-fluorene
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2-(2,6-difluorophenyl)-1,3-difluorobenzene
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2,3,4-trifluoro-1H-indene
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(2,6-difluorophenoxy)-dimethylalumane
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methyl 4-(2,3-difluorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate
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(2,3-difluorophenyl)-trimethylsilane
CID 10899371

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-4H-3,1-benzoxazine?
The IUPAC name of 8-fluoro-2-methyl-4H-3,1-benzoxazine (CID 175824558) is 8-fluoro-2-methyl-4H-3,1-benzoxazine.
What is the SMILES notation for 8-fluoro-2-methyl-4H-3,1-benzoxazine?
The canonical SMILES for 8-fluoro-2-methyl-4H-3,1-benzoxazine is CC1=Nc2c(F)cccc2CO1.
What is the InChIKey of 8-fluoro-2-methyl-4H-3,1-benzoxazine?
The InChIKey is SUUGIVKIGUWEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-6-11-9-7(5-12-6)3-2-4-8(9)10/h2-4H,5H2,1H3.
What are the key properties of 8-fluoro-2-methyl-4H-3,1-benzoxazine?
8-fluoro-2-methyl-4H-3,1-benzoxazine has a molecular weight of 165.17 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-4H-3,1-benzoxazine is sourced from PubChem (CID 175824558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).