1-(4-fluoro-4-methyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)ethanone

C10H12FNO2 — CID 105450525

IUPAC1-(4-fluoro-4-methyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)ethanone
SMILESCC(=O)c1noc2c1C(C)(F)CCC2
InChIInChI=1S/C10H12FNO2/c1-6(13)9-8-7(14-12-9)4-3-5-10(8,2)11/h3-5H2,1-2H3
InChIKeyIFZKVFLOOBCHPZ-UHFFFAOYSA-N
MW197.21 g/mol
LogP2.40
Rot. Bonds1

About 1-(4-fluoro-4-methyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)ethanone

1-(4-fluoro-4-methyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)ethanone (PubChem CID 105450525) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-(4-fluoro-4-methyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-4-methyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)ethanone
PubChem CID105450525
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name1-(4-fluoro-4-methyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)ethanone
SMILESCC(=O)c1noc2c1C(C)(F)CCC2
InChIInChI=1S/C10H12FNO2/c1-6(13)9-8-7(14-12-9)4-3-5-10(8,2)11/h3-5H2,1-2H3
InChIKeyIFZKVFLOOBCHPZ-UHFFFAOYSA-N
XLogP2.40
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-4-methyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)ethanone?
The IUPAC name of 1-(4-fluoro-4-methyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)ethanone (CID 105450525) is 1-(4-fluoro-4-methyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-fluoro-4-methyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)ethanone?
The canonical SMILES for 1-(4-fluoro-4-methyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)ethanone is CC(=O)c1noc2c1C(C)(F)CCC2.
What is the InChIKey of 1-(4-fluoro-4-methyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)ethanone?
The InChIKey is IFZKVFLOOBCHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-6(13)9-8-7(14-12-9)4-3-5-10(8,2)11/h3-5H2,1-2H3.
What are the key properties of 1-(4-fluoro-4-methyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)ethanone?
1-(4-fluoro-4-methyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)ethanone has a molecular weight of 197.21 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-4-methyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)ethanone is sourced from PubChem (CID 105450525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).