2-cyclobutyloxy-1-(2,5-difluorophenyl)ethanone

C12H12F2O2 — CID 62141584

IUPAC2-cyclobutyloxy-1-(2,5-difluorophenyl)ethanone
SMILESO=C(COC1CCC1)c1cc(F)ccc1F
InChIInChI=1S/C12H12F2O2/c13-8-4-5-11(14)10(6-8)12(15)7-16-9-2-1-3-9/h4-6,9H,1-3,7H2
InChIKeyVCAXWPFFSVPFIH-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.72
Rot. Bonds4

About 2-cyclobutyloxy-1-(2,5-difluorophenyl)ethanone

2-cyclobutyloxy-1-(2,5-difluorophenyl)ethanone (PubChem CID 62141584) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is 2-cyclobutyloxy-1-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-cyclobutyloxy-1-(2,5-difluorophenyl)ethanone
PubChem CID62141584
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name2-cyclobutyloxy-1-(2,5-difluorophenyl)ethanone
SMILESO=C(COC1CCC1)c1cc(F)ccc1F
InChIInChI=1S/C12H12F2O2/c13-8-4-5-11(14)10(6-8)12(15)7-16-9-2-1-3-9/h4-6,9H,1-3,7H2
InChIKeyVCAXWPFFSVPFIH-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyloxy-1-(2-fluorophenyl)ethanone
CID 43799397
2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 62785048
2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanone
CID 60645510
[2-(2,5-difluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 55321772
2-cyclobutyloxy-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 62139898
1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43219785
2-(4-aminopiperidin-1-yl)-1-(2,5-difluorophenyl)ethanone
CID 62029769
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(2,5-difluorophenyl)ethanone
CID 43228979
2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone
CID 102864457
2,5-difluoro-N-(2-hydroxycyclopentyl)benzamide
CID 43835745
1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 43219345
1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800886

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-1-(2,5-difluorophenyl)ethanone?
The IUPAC name of 2-cyclobutyloxy-1-(2,5-difluorophenyl)ethanone (CID 62141584) is 2-cyclobutyloxy-1-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-cyclobutyloxy-1-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 2-cyclobutyloxy-1-(2,5-difluorophenyl)ethanone is O=C(COC1CCC1)c1cc(F)ccc1F.
What is the InChIKey of 2-cyclobutyloxy-1-(2,5-difluorophenyl)ethanone?
The InChIKey is VCAXWPFFSVPFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c13-8-4-5-11(14)10(6-8)12(15)7-16-9-2-1-3-9/h4-6,9H,1-3,7H2.
What are the key properties of 2-cyclobutyloxy-1-(2,5-difluorophenyl)ethanone?
2-cyclobutyloxy-1-(2,5-difluorophenyl)ethanone has a molecular weight of 226.22 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-1-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 62141584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).