7-fluoro-2,6-dimethyl-1,3-benzoxazole

C9H8FNO — CID 20785549

IUPAC7-fluoro-2,6-dimethyl-1,3-benzoxazole
SMILESCc1nc2ccc(C)c(F)c2o1
InChIInChI=1S/C9H8FNO/c1-5-3-4-7-9(8(5)10)12-6(2)11-7/h3-4H,1-2H3
InChIKeyRIBYQDBYGFVTEB-UHFFFAOYSA-N
MW165.17 g/mol
LogP2.58
Rot. Bonds

About 7-fluoro-2,6-dimethyl-1,3-benzoxazole

7-fluoro-2,6-dimethyl-1,3-benzoxazole (PubChem CID 20785549) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 7-fluoro-2,6-dimethyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-fluoro-2,6-dimethyl-1,3-benzoxazole
PubChem CID20785549
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name7-fluoro-2,6-dimethyl-1,3-benzoxazole
SMILESCc1nc2ccc(C)c(F)c2o1
InChIInChI=1S/C9H8FNO/c1-5-3-4-7-9(8(5)10)12-6(2)11-7/h3-4H,1-2H3
InChIKeyRIBYQDBYGFVTEB-UHFFFAOYSA-N
XLogP2.58
TPSA26.03 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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,6-dimethyl-1,3-benzoxazole?
The IUPAC name of 7-fluoro-2,6-dimethyl-1,3-benzoxazole (CID 20785549) is 7-fluoro-2,6-dimethyl-1,3-benzoxazole.
What is the SMILES notation for 7-fluoro-2,6-dimethyl-1,3-benzoxazole?
The canonical SMILES for 7-fluoro-2,6-dimethyl-1,3-benzoxazole is Cc1nc2ccc(C)c(F)c2o1.
What is the InChIKey of 7-fluoro-2,6-dimethyl-1,3-benzoxazole?
The InChIKey is RIBYQDBYGFVTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-5-3-4-7-9(8(5)10)12-6(2)11-7/h3-4H,1-2H3.
What are the key properties of 7-fluoro-2,6-dimethyl-1,3-benzoxazole?
7-fluoro-2,6-dimethyl-1,3-benzoxazole has a molecular weight of 165.17 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,6-dimethyl-1,3-benzoxazole is sourced from PubChem (CID 20785549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).