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

C9H8FNO — CID 175783498

IUPAC7-fluoro-8-methyl-2H-3,1-benzoxazine
SMILESCc1c(F)ccc2c1=NCOC=2
InChIInChI=1S/C9H8FNO/c1-6-8(10)3-2-7-4-12-5-11-9(6)7/h2-4H,5H2,1H3
InChIKeyINDBAHBBDSHEKC-UHFFFAOYSA-N
MW165.17 g/mol
LogP0.48
Rot. Bonds

About 7-fluoro-8-methyl-2H-3,1-benzoxazine

7-fluoro-8-methyl-2H-3,1-benzoxazine (PubChem CID 175783498) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 7-fluoro-8-methyl-2H-3,1-benzoxazine.

Molecular Properties

Compound Name7-fluoro-8-methyl-2H-3,1-benzoxazine
PubChem CID175783498
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name7-fluoro-8-methyl-2H-3,1-benzoxazine
SMILESCc1c(F)ccc2c1=NCOC=2
InChIInChI=1S/C9H8FNO/c1-6-8(10)3-2-7-4-12-5-11-9(6)7/h2-4H,5H2,1H3
InChIKeyINDBAHBBDSHEKC-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-methyl-2H-3,1-benzoxazine?
The IUPAC name of 7-fluoro-8-methyl-2H-3,1-benzoxazine (CID 175783498) is 7-fluoro-8-methyl-2H-3,1-benzoxazine.
What is the SMILES notation for 7-fluoro-8-methyl-2H-3,1-benzoxazine?
The canonical SMILES for 7-fluoro-8-methyl-2H-3,1-benzoxazine is Cc1c(F)ccc2c1=NCOC=2.
What is the InChIKey of 7-fluoro-8-methyl-2H-3,1-benzoxazine?
The InChIKey is INDBAHBBDSHEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-6-8(10)3-2-7-4-12-5-11-9(6)7/h2-4H,5H2,1H3.
What are the key properties of 7-fluoro-8-methyl-2H-3,1-benzoxazine?
7-fluoro-8-methyl-2H-3,1-benzoxazine has a molecular weight of 165.17 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-methyl-2H-3,1-benzoxazine is sourced from PubChem (CID 175783498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).