1-(6-fluoro-1,3-benzoxazol-2-yl)butan-2-one

C11H10FNO2 — CID 112710878

IUPAC1-(6-fluoro-1,3-benzoxazol-2-yl)butan-2-one
SMILESCCC(=O)Cc1nc2ccc(F)cc2o1
InChIInChI=1S/C11H10FNO2/c1-2-8(14)6-11-13-9-4-3-7(12)5-10(9)15-11/h3-5H,2,6H2,1H3
InChIKeyLHUXMEXRZZHGGP-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.49
Rot. Bonds3

About 1-(6-fluoro-1,3-benzoxazol-2-yl)butan-2-one

1-(6-fluoro-1,3-benzoxazol-2-yl)butan-2-one (PubChem CID 112710878) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 1-(6-fluoro-1,3-benzoxazol-2-yl)butan-2-one.

Molecular Properties

Compound Name1-(6-fluoro-1,3-benzoxazol-2-yl)butan-2-one
PubChem CID112710878
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name1-(6-fluoro-1,3-benzoxazol-2-yl)butan-2-one
SMILESCCC(=O)Cc1nc2ccc(F)cc2o1
InChIInChI=1S/C11H10FNO2/c1-2-8(14)6-11-13-9-4-3-7(12)5-10(9)15-11/h3-5H,2,6H2,1H3
InChIKeyLHUXMEXRZZHGGP-UHFFFAOYSA-N
XLogP2.49
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-fluoro-1,3-benzoxazol-2-yl)-2,2-dimethylpropanoic acid
CID 83870285
2-[(6-fluoro-1,3-benzoxazol-2-yl)methoxy]acetic acid
CID 63675428
2-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]aniline
CID 107273857
1-(4-methyl-1,3-benzoxazol-2-yl)butan-2-one
CID 112710879
(6-fluoro-1,3-benzoxazol-2-yl)methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate
CID 75516846
1-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one
CID 58778344
2-(6-sulfanyl-1,3-benzoxazol-2-yl)acetic acid
CID 131073240
5-fluoro-2-propyl-1,3-benzoxazole
CID 82229772
1-[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 110019697
2-(1,3-benzoxazol-2-yl)-1-(2,4,6-trifluorophenyl)ethanone
CID 65099002
6-fluoro-N-propyl-1,3-benzoxazol-2-amine
CID 123750447
6-fluoro-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole
CID 63870572

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1,3-benzoxazol-2-yl)butan-2-one?
The IUPAC name of 1-(6-fluoro-1,3-benzoxazol-2-yl)butan-2-one (CID 112710878) is 1-(6-fluoro-1,3-benzoxazol-2-yl)butan-2-one.
What is the SMILES notation for 1-(6-fluoro-1,3-benzoxazol-2-yl)butan-2-one?
The canonical SMILES for 1-(6-fluoro-1,3-benzoxazol-2-yl)butan-2-one is CCC(=O)Cc1nc2ccc(F)cc2o1.
What is the InChIKey of 1-(6-fluoro-1,3-benzoxazol-2-yl)butan-2-one?
The InChIKey is LHUXMEXRZZHGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-2-8(14)6-11-13-9-4-3-7(12)5-10(9)15-11/h3-5H,2,6H2,1H3.
What are the key properties of 1-(6-fluoro-1,3-benzoxazol-2-yl)butan-2-one?
1-(6-fluoro-1,3-benzoxazol-2-yl)butan-2-one has a molecular weight of 207.20 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1,3-benzoxazol-2-yl)butan-2-one is sourced from PubChem (CID 112710878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).