1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone

C18H18ClFO — CID 43337746

IUPAC1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone
SMILESCC(C)(C)c1ccc(C(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H18ClFO/c1-18(2,3)13-9-7-12(8-10-13)17(21)11-14-15(19)5-4-6-16(14)20/h4-10H,11H2,1-3H3
InChIKeyHXFIUYYKWNPGFH-UHFFFAOYSA-N
MW304.79 g/mol
LogP5.20
Rot. Bonds3

About 1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone

1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone (PubChem CID 43337746) has the molecular formula C18H18ClFO and a molecular weight of 304.79 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone
PubChem CID43337746
Molecular FormulaC18H18ClFO
Molecular Weight304.79 g/mol
Exact Mass304.10
IUPAC Name1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone
SMILESCC(C)(C)c1ccc(C(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H18ClFO/c1-18(2,3)13-9-7-12(8-10-13)17(21)11-14-15(19)5-4-6-16(14)20/h4-10H,11H2,1-3H3
InChIKeyHXFIUYYKWNPGFH-UHFFFAOYSA-N
XLogP5.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.79
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-tert-butylphenyl)-2-(2-chloro-6-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

2-(2-chloro-6-fluorophenyl)-1-(4-ethylphenyl)ethanone
CID 43160436
2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106847868
2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 114024581
1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 63411340
2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 43160866
2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 43379521
(3R)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 1425891
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105349147
1-(4-tert-butylphenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 63410452
2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone
CID 43337883
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 107475686
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7432871

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone (CID 43337746) is 1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone is CC(C)(C)c1ccc(C(=O)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone?
The InChIKey is HXFIUYYKWNPGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFO/c1-18(2,3)13-9-7-12(8-10-13)17(21)11-14-15(19)5-4-6-16(14)20/h4-10H,11H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone?
1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone has a molecular weight of 304.79 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone is sourced from PubChem (CID 43337746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).