6-(2-fluoroethoxy)-2-methyl-1,3-benzoxazole

C10H10FNO2 — CID 59156483

IUPAC6-(2-fluoroethoxy)-2-methyl-1,3-benzoxazole
SMILESCc1nc2ccc(OCCF)cc2o1
InChIInChI=1S/C10H10FNO2/c1-7-12-9-3-2-8(13-5-4-11)6-10(9)14-7/h2-3,6H,4-5H2,1H3
InChIKeyVRAHFKXHCJLROJ-UHFFFAOYSA-N
MW195.19 g/mol
LogP2.48
Rot. Bonds3

About 6-(2-fluoroethoxy)-2-methyl-1,3-benzoxazole

6-(2-fluoroethoxy)-2-methyl-1,3-benzoxazole (PubChem CID 59156483) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 6-(2-fluoroethoxy)-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-(2-fluoroethoxy)-2-methyl-1,3-benzoxazole
PubChem CID59156483
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name6-(2-fluoroethoxy)-2-methyl-1,3-benzoxazole
SMILESCc1nc2ccc(OCCF)cc2o1
InChIInChI=1S/C10H10FNO2/c1-7-12-9-3-2-8(13-5-4-11)6-10(9)14-7/h2-3,6H,4-5H2,1H3
InChIKeyVRAHFKXHCJLROJ-UHFFFAOYSA-N
XLogP2.48
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethoxy)-2-methyl-1,3-benzoxazole?
The IUPAC name of 6-(2-fluoroethoxy)-2-methyl-1,3-benzoxazole (CID 59156483) is 6-(2-fluoroethoxy)-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 6-(2-fluoroethoxy)-2-methyl-1,3-benzoxazole?
The canonical SMILES for 6-(2-fluoroethoxy)-2-methyl-1,3-benzoxazole is Cc1nc2ccc(OCCF)cc2o1.
What is the InChIKey of 6-(2-fluoroethoxy)-2-methyl-1,3-benzoxazole?
The InChIKey is VRAHFKXHCJLROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-7-12-9-3-2-8(13-5-4-11)6-10(9)14-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 6-(2-fluoroethoxy)-2-methyl-1,3-benzoxazole?
6-(2-fluoroethoxy)-2-methyl-1,3-benzoxazole has a molecular weight of 195.19 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethoxy)-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 59156483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).