6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine

C9H9ClFNO — CID 171788147

IUPAC6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCN1CCOc2cc(F)c(Cl)cc21
InChIInChI=1S/C9H9ClFNO/c1-12-2-3-13-9-5-7(11)6(10)4-8(9)12/h4-5H,2-3H2,1H3
InChIKeyFPGPTAOIRNHULP-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.31
Rot. Bonds

About 6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine

6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 171788147) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID171788147
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCN1CCOc2cc(F)c(Cl)cc21
InChIInChI=1S/C9H9ClFNO/c1-12-2-3-13-9-5-7(11)6(10)4-8(9)12/h4-5H,2-3H2,1H3
InChIKeyFPGPTAOIRNHULP-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine (CID 171788147) is 6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine is CN1CCOc2cc(F)c(Cl)cc21.
What is the InChIKey of 6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is FPGPTAOIRNHULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-12-2-3-13-9-5-7(11)6(10)4-8(9)12/h4-5H,2-3H2,1H3.
What are the key properties of 6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine?
6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 201.63 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 171788147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).