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

C9H10FNO — CID 82229656

IUPAC8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCN1CCOc2c(F)cccc21
InChIInChI=1S/C9H10FNO/c1-11-5-6-12-9-7(10)3-2-4-8(9)11/h2-4H,5-6H2,1H3
InChIKeyPMARPCBVQJWVKY-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.65
Rot. Bonds

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

8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 82229656) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID82229656
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCN1CCOc2c(F)cccc21
InChIInChI=1S/C9H10FNO/c1-11-5-6-12-9-7(10)3-2-4-8(9)11/h2-4H,5-6H2,1H3
InChIKeyPMARPCBVQJWVKY-UHFFFAOYSA-N
XLogP1.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine (CID 82229656) is 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine is CN1CCOc2c(F)cccc21.
What is the InChIKey of 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is PMARPCBVQJWVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-11-5-6-12-9-7(10)3-2-4-8(9)11/h2-4H,5-6H2,1H3.
What are the key properties of 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine?
8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 167.18 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 82229656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).