7-(fluoromethyl)-2-methoxy-1,3-benzoxazole

C9H8FNO2 — CID 131169380

IUPAC7-(fluoromethyl)-2-methoxy-1,3-benzoxazole
SMILESCOc1nc2cccc(CF)c2o1
InChIInChI=1S/C9H8FNO2/c1-12-9-11-7-4-2-3-6(5-10)8(7)13-9/h2-4H,5H2,1H3
InChIKeyQLAWAASJLJUFOE-UHFFFAOYSA-N
MW181.17 g/mol
LogP2.31
Rot. Bonds2

About 7-(fluoromethyl)-2-methoxy-1,3-benzoxazole

7-(fluoromethyl)-2-methoxy-1,3-benzoxazole (PubChem CID 131169380) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is 7-(fluoromethyl)-2-methoxy-1,3-benzoxazole.

Molecular Properties

Compound Name7-(fluoromethyl)-2-methoxy-1,3-benzoxazole
PubChem CID131169380
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name7-(fluoromethyl)-2-methoxy-1,3-benzoxazole
SMILESCOc1nc2cccc(CF)c2o1
InChIInChI=1S/C9H8FNO2/c1-12-9-11-7-4-2-3-6(5-10)8(7)13-9/h2-4H,5H2,1H3
InChIKeyQLAWAASJLJUFOE-UHFFFAOYSA-N
XLogP2.31
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(fluoromethyl)-2-methoxy-1,3-benzoxazole?
The IUPAC name of 7-(fluoromethyl)-2-methoxy-1,3-benzoxazole (CID 131169380) is 7-(fluoromethyl)-2-methoxy-1,3-benzoxazole.
What is the SMILES notation for 7-(fluoromethyl)-2-methoxy-1,3-benzoxazole?
The canonical SMILES for 7-(fluoromethyl)-2-methoxy-1,3-benzoxazole is COc1nc2cccc(CF)c2o1.
What is the InChIKey of 7-(fluoromethyl)-2-methoxy-1,3-benzoxazole?
The InChIKey is QLAWAASJLJUFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2/c1-12-9-11-7-4-2-3-6(5-10)8(7)13-9/h2-4H,5H2,1H3.
What are the key properties of 7-(fluoromethyl)-2-methoxy-1,3-benzoxazole?
7-(fluoromethyl)-2-methoxy-1,3-benzoxazole has a molecular weight of 181.17 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(fluoromethyl)-2-methoxy-1,3-benzoxazole is sourced from PubChem (CID 131169380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).