1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone

C13H17FO2 — CID 43800565

IUPAC1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone
SMILESCCC(C)(C)OCC(=O)c1cccc(F)c1
InChIInChI=1S/C13H17FO2/c1-4-13(2,3)16-9-12(15)10-6-5-7-11(14)8-10/h5-8H,4,9H2,1-3H3
InChIKeyQSNBHIRMGRFJGV-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.21
Rot. Bonds5

About 1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone

1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone (PubChem CID 43800565) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone
PubChem CID43800565
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone
SMILESCCC(C)(C)OCC(=O)c1cccc(F)c1
InChIInChI=1S/C13H17FO2/c1-4-13(2,3)16-9-12(15)10-6-5-7-11(14)8-10/h5-8H,4,9H2,1-3H3
InChIKeyQSNBHIRMGRFJGV-UHFFFAOYSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone
CID 43800582
2-(3,3-dimethylbutoxy)-1-(3-fluorophenyl)ethanone
CID 66234529
2-(2-methylbutan-2-yloxy)-1-(4-methylphenyl)ethanone
CID 43800573
1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799454
[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 8675820
5-(3-fluorophenyl)-3,3-dimethyl-5-oxopentanoic acid
CID 146004499
(3R)-1-(3-fluorophenyl)-3-iodobutan-1-one
CID 143250883
[2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8677319
1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 103603982
1-(3-fluorophenyl)-2-methylselanylethanone
CID 146165454
1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612544
2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone
CID 43612481

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone (CID 43800565) is 1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone is CCC(C)(C)OCC(=O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone?
The InChIKey is QSNBHIRMGRFJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-4-13(2,3)16-9-12(15)10-6-5-7-11(14)8-10/h5-8H,4,9H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone?
1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone has a molecular weight of 224.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone is sourced from PubChem (CID 43800565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).