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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Related Compounds

2-(2-methoxy-1,3-benzoxazol-7-yl)acetonitrile
CID 131189180
2-methoxy-1,3-benzoxazole-7-carbaldehyde
CID 131191307
7-(chloromethyl)-2-ethoxy-1,3-benzoxazole
CID 130849135
(2-methoxy-1,3-benzoxazol-4-yl)methanol
CID 117277912
1-(2-methoxy-1,3-benzoxazol-4-yl)-2-methylpropan-2-amine
CID 117314422
3-(2-methyl-1,3-benzoxazol-7-yl)propan-1-ol
CID 117282272
2-(2-acetyl-1,3-benzoxazol-7-yl)acetonitrile
CID 119009609
2-(difluoromethoxy)-7-fluoro-1,3-benzoxazole
CID 118803478
(7-ethyl-1,3-benzoxazol-2-yl)methanamine
CID 82229700
7-ethyl-1,3-benzoxazole-2-carbaldehyde
CID 131091388
7-ethyl-2-propan-2-yl-1,3-benzoxazole
CID 82229866
7-(chloromethyl)-1,3-benzoxazol-2-amine
CID 119016516

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).