6-(1-fluorobutan-2-yloxy)-2-methyl-1,3-benzoxazole

C12H14FNO2 — CID 59156411

IUPAC6-(1-fluorobutan-2-yloxy)-2-methyl-1,3-benzoxazole
SMILESCCC(CF)Oc1ccc2nc(C)oc2c1
InChIInChI=1S/C12H14FNO2/c1-3-9(7-13)16-10-4-5-11-12(6-10)15-8(2)14-11/h4-6,9H,3,7H2,1-2H3
InChIKeyZRQMFGJTNGZFIY-UHFFFAOYSA-N
MW223.25 g/mol
LogP3.26
Rot. Bonds4

About 6-(1-fluorobutan-2-yloxy)-2-methyl-1,3-benzoxazole

6-(1-fluorobutan-2-yloxy)-2-methyl-1,3-benzoxazole (PubChem CID 59156411) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 6-(1-fluorobutan-2-yloxy)-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-(1-fluorobutan-2-yloxy)-2-methyl-1,3-benzoxazole
PubChem CID59156411
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name6-(1-fluorobutan-2-yloxy)-2-methyl-1,3-benzoxazole
SMILESCCC(CF)Oc1ccc2nc(C)oc2c1
InChIInChI=1S/C12H14FNO2/c1-3-9(7-13)16-10-4-5-11-12(6-10)15-8(2)14-11/h4-6,9H,3,7H2,1-2H3
InChIKeyZRQMFGJTNGZFIY-UHFFFAOYSA-N
XLogP3.26
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-fluorobutan-2-yloxy)-2-methyl-1,3-benzoxazole?
The IUPAC name of 6-(1-fluorobutan-2-yloxy)-2-methyl-1,3-benzoxazole (CID 59156411) is 6-(1-fluorobutan-2-yloxy)-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 6-(1-fluorobutan-2-yloxy)-2-methyl-1,3-benzoxazole?
The canonical SMILES for 6-(1-fluorobutan-2-yloxy)-2-methyl-1,3-benzoxazole is CCC(CF)Oc1ccc2nc(C)oc2c1.
What is the InChIKey of 6-(1-fluorobutan-2-yloxy)-2-methyl-1,3-benzoxazole?
The InChIKey is ZRQMFGJTNGZFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-3-9(7-13)16-10-4-5-11-12(6-10)15-8(2)14-11/h4-6,9H,3,7H2,1-2H3.
What are the key properties of 6-(1-fluorobutan-2-yloxy)-2-methyl-1,3-benzoxazole?
6-(1-fluorobutan-2-yloxy)-2-methyl-1,3-benzoxazole has a molecular weight of 223.25 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluorobutan-2-yloxy)-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 59156411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).