2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone

C12H14F2O2 — CID 60904694

IUPAC2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone
SMILESCCC(C)OCC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2O2/c1-3-8(2)16-7-12(15)9-4-5-10(13)11(14)6-9/h4-6,8H,3,7H2,1-2H3
InChIKeyFNSAJKYOMJTUON-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.96
Rot. Bonds5

About 2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone

2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone (PubChem CID 60904694) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone
PubChem CID60904694
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone
SMILESCCC(C)OCC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2O2/c1-3-8(2)16-7-12(15)9-4-5-10(13)11(14)6-9/h4-6,8H,3,7H2,1-2H3
InChIKeyFNSAJKYOMJTUON-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yloxy-1-(4-fluorophenyl)ethanone
CID 60902739
2-butan-2-yloxy-1-(4-chlorophenyl)ethanone
CID 60902738
2-butan-2-yloxy-1-(4-ethylphenyl)ethanone
CID 60904693
1-(3,4-difluorophenyl)-2-ethoxy-3-methylbutan-1-one
CID 116708727
1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794901
2-butan-2-ylsulfonyl-1-(3,4-difluorophenyl)ethanone
CID 64643753
1-(3,4-difluorophenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone
CID 79491183
2-(3,4-difluorophenoxy)-1-(3,4-difluorophenyl)ethanone
CID 43612522
1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one
CID 43796194
pentan-2-yl 3,4-difluorobenzoate
CID 91716937
2-butan-2-ylsulfinyl-1-(3,4-difluorophenyl)propan-1-one
CID 64640863
1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62333770

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone?
The IUPAC name of 2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone (CID 60904694) is 2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone?
The canonical SMILES for 2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone is CCC(C)OCC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone?
The InChIKey is FNSAJKYOMJTUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-3-8(2)16-7-12(15)9-4-5-10(13)11(14)6-9/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone?
2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone has a molecular weight of 228.24 g/mol, XLogP of 2.96, 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-(3,4-difluorophenyl)ethanone is sourced from PubChem (CID 60904694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).