2-butan-2-yloxy-1-(4-fluorophenyl)ethanone

C12H15FO2 — CID 60902739

IUPAC2-butan-2-yloxy-1-(4-fluorophenyl)ethanone
SMILESCCC(C)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FO2/c1-3-9(2)15-8-12(14)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyDPJPSTFPNPFNOG-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.82
Rot. Bonds5

About 2-butan-2-yloxy-1-(4-fluorophenyl)ethanone

2-butan-2-yloxy-1-(4-fluorophenyl)ethanone (PubChem CID 60902739) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-butan-2-yloxy-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-butan-2-yloxy-1-(4-fluorophenyl)ethanone
PubChem CID60902739
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name2-butan-2-yloxy-1-(4-fluorophenyl)ethanone
SMILESCCC(C)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FO2/c1-3-9(2)15-8-12(14)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyDPJPSTFPNPFNOG-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yloxy-1-(4-ethylphenyl)ethanone
CID 60904693
2-butan-2-yloxy-1-(4-chlorophenyl)ethanone
CID 60902738
2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone
CID 60904694
2-[(R)-amino(sulfanyl)methoxy]-1-(4-fluorophenyl)ethanone
CID 124638969
2-(4-methylpentan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone
CID 43799096
[(2S)-1-(4-fluorophenyl)-1-oxobutan-2-yl]azanium
CID 6940475
1-[4-(4-fluorophenyl)phenyl]-2-methoxyethanone
CID 146011430
2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone
CID 43795952
[2-(4-fluorophenyl)-2-oxoethyl] N-methylcarbamate
CID 144688613
3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one
CID 10376307
1-(4-fluorophenyl)-5-methoxyhexan-1-one
CID 145375839
2-(2-ethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 43412427

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-butan-2-yloxy-1-(4-fluorophenyl)ethanone (CID 60902739) is 2-butan-2-yloxy-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-butan-2-yloxy-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-butan-2-yloxy-1-(4-fluorophenyl)ethanone is CCC(C)OCC(=O)c1ccc(F)cc1.
What is the InChIKey of 2-butan-2-yloxy-1-(4-fluorophenyl)ethanone?
The InChIKey is DPJPSTFPNPFNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-3-9(2)15-8-12(14)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 2-butan-2-yloxy-1-(4-fluorophenyl)ethanone?
2-butan-2-yloxy-1-(4-fluorophenyl)ethanone has a molecular weight of 210.25 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 60902739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).