1-cyclobutyloxy-2-fluoro-3,5-dimethylbenzene

C12H15FO — CID 130057182

IUPAC1-cyclobutyloxy-2-fluoro-3,5-dimethylbenzene
SMILESCc1cc(C)c(F)c(OC2CCC2)c1
InChIInChI=1S/C12H15FO/c1-8-6-9(2)12(13)11(7-8)14-10-4-3-5-10/h6-7,10H,3-5H2,1-2H3
InChIKeyKXALSNCSDMZKCR-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.37
Rot. Bonds2

About 1-cyclobutyloxy-2-fluoro-3,5-dimethylbenzene

1-cyclobutyloxy-2-fluoro-3,5-dimethylbenzene (PubChem CID 130057182) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-cyclobutyloxy-2-fluoro-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-cyclobutyloxy-2-fluoro-3,5-dimethylbenzene
PubChem CID130057182
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name1-cyclobutyloxy-2-fluoro-3,5-dimethylbenzene
SMILESCc1cc(C)c(F)c(OC2CCC2)c1
InChIInChI=1S/C12H15FO/c1-8-6-9(2)12(13)11(7-8)14-10-4-3-5-10/h6-7,10H,3-5H2,1-2H3
InChIKeyKXALSNCSDMZKCR-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyloxy-2-fluoro-3,5-dimethylbenzene?
The IUPAC name of 1-cyclobutyloxy-2-fluoro-3,5-dimethylbenzene (CID 130057182) is 1-cyclobutyloxy-2-fluoro-3,5-dimethylbenzene.
What is the SMILES notation for 1-cyclobutyloxy-2-fluoro-3,5-dimethylbenzene?
The canonical SMILES for 1-cyclobutyloxy-2-fluoro-3,5-dimethylbenzene is Cc1cc(C)c(F)c(OC2CCC2)c1.
What is the InChIKey of 1-cyclobutyloxy-2-fluoro-3,5-dimethylbenzene?
The InChIKey is KXALSNCSDMZKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-8-6-9(2)12(13)11(7-8)14-10-4-3-5-10/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 1-cyclobutyloxy-2-fluoro-3,5-dimethylbenzene?
1-cyclobutyloxy-2-fluoro-3,5-dimethylbenzene has a molecular weight of 194.25 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyloxy-2-fluoro-3,5-dimethylbenzene is sourced from PubChem (CID 130057182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).