1-(3-butan-2-yl-5-fluorophenyl)ethanone

C12H15FO — CID 143473995

IUPAC1-(3-butan-2-yl-5-fluorophenyl)ethanone
SMILESCCC(C)c1cc(F)cc(C(C)=O)c1
InChIInChI=1S/C12H15FO/c1-4-8(2)10-5-11(9(3)14)7-12(13)6-10/h5-8H,4H2,1-3H3
InChIKeyFZJTYXQNKYDMNE-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.54
Rot. Bonds3

About 1-(3-butan-2-yl-5-fluorophenyl)ethanone

1-(3-butan-2-yl-5-fluorophenyl)ethanone (PubChem CID 143473995) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-(3-butan-2-yl-5-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-butan-2-yl-5-fluorophenyl)ethanone
PubChem CID143473995
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name1-(3-butan-2-yl-5-fluorophenyl)ethanone
SMILESCCC(C)c1cc(F)cc(C(C)=O)c1
InChIInChI=1S/C12H15FO/c1-4-8(2)10-5-11(9(3)14)7-12(13)6-10/h5-8H,4H2,1-3H3
InChIKeyFZJTYXQNKYDMNE-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-butan-2-yl-5-fluorophenyl)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-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone
CID 158070226
1-bromo-3-butan-2-yl-5-fluorobenzene
CID 130384481
1-butan-2-yl-3-(difluoromethylsulfonyl)-5-fluorobenzene
CID 176956896
1-[3-(ethylamino)-5-fluorophenyl]ethanone
CID 82535672
2-amino-1-(3-fluoro-5-propan-2-ylphenyl)ethanone
CID 84773566
N-(3-fluoro-5-pentan-2-ylphenyl)acetamide
CID 155396943
2-acetyl-5-butan-2-yl-3-hydroxybenzonitrile
CID 71024193
methyl 3-fluoro-5-propan-2-ylbenzoate
CID 103186417
1-[3-(dimethylamino)-5-fluorophenyl]ethanone
CID 82535454
1-butan-2-yl-4-fluorobenzene
CID 11829648
3-(4-butan-2-ylphenyl)-4-fluorobenzoic acid
CID 107957661
N-(3-butan-2-yl-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 130434784

Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yl-5-fluorophenyl)ethanone?
The IUPAC name of 1-(3-butan-2-yl-5-fluorophenyl)ethanone (CID 143473995) is 1-(3-butan-2-yl-5-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-butan-2-yl-5-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-butan-2-yl-5-fluorophenyl)ethanone is CCC(C)c1cc(F)cc(C(C)=O)c1.
What is the InChIKey of 1-(3-butan-2-yl-5-fluorophenyl)ethanone?
The InChIKey is FZJTYXQNKYDMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-4-8(2)10-5-11(9(3)14)7-12(13)6-10/h5-8H,4H2,1-3H3.
What are the key properties of 1-(3-butan-2-yl-5-fluorophenyl)ethanone?
1-(3-butan-2-yl-5-fluorophenyl)ethanone has a molecular weight of 194.25 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yl-5-fluorophenyl)ethanone is sourced from PubChem (CID 143473995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).