4-[2,4-di(propan-2-yl)phenyl]-4,4-difluorobutanoic acid

C16H22F2O2 — CID 29051981

IUPAC4-[2,4-di(propan-2-yl)phenyl]-4,4-difluorobutanoic acid
SMILESCC(C)c1ccc(C(F)(F)CCC(=O)O)c(C(C)C)c1
InChIInChI=1S/C16H22F2O2/c1-10(2)12-5-6-14(13(9-12)11(3)4)16(17,18)8-7-15(19)20/h5-6,9-11H,7-8H2,1-4H3,(H,19,20)
InChIKeyQGXOZBSEWPKQDG-UHFFFAOYSA-N
MW284.35 g/mol
LogP4.89
Rot. Bonds6

About 4-[2,4-di(propan-2-yl)phenyl]-4,4-difluorobutanoic acid

4-[2,4-di(propan-2-yl)phenyl]-4,4-difluorobutanoic acid (PubChem CID 29051981) has the molecular formula C16H22F2O2 and a molecular weight of 284.35 g/mol. Its IUPAC name is 4-[2,4-di(propan-2-yl)phenyl]-4,4-difluorobutanoic acid.

Molecular Properties

Compound Name4-[2,4-di(propan-2-yl)phenyl]-4,4-difluorobutanoic acid
PubChem CID29051981
Molecular FormulaC16H22F2O2
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name4-[2,4-di(propan-2-yl)phenyl]-4,4-difluorobutanoic acid
SMILESCC(C)c1ccc(C(F)(F)CCC(=O)O)c(C(C)C)c1
InChIInChI=1S/C16H22F2O2/c1-10(2)12-5-6-14(13(9-12)11(3)4)16(17,18)8-7-15(19)20/h5-6,9-11H,7-8H2,1-4H3,(H,19,20)
InChIKeyQGXOZBSEWPKQDG-UHFFFAOYSA-N
XLogP4.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[2,4-di(propan-2-yl)phenyl]-4,4-difluorobutanoic acid 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

Ibuprofen, (+-)-
CID 3672
Dexibuprofen
CID 39912
Dehydroabietic Acid
CID 94391
Ibuprofen, (-)-
CID 114864
Ibufenac
CID 15250
3-(4-tert-Butylphenyl)-2-methylpropanoic acid
CID 106694
3-(P-Tolyl)Propionic Acid
CID 73927
Butibufen
CID 41643
Jnj-40418677
CID 52939724
3-Phenylbutyric acid
CID 20724
Tug-424
CID 25150014
Mesitylacetic acid
CID 78123

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-di(propan-2-yl)phenyl]-4,4-difluorobutanoic acid?
The IUPAC name of 4-[2,4-di(propan-2-yl)phenyl]-4,4-difluorobutanoic acid (CID 29051981) is 4-[2,4-di(propan-2-yl)phenyl]-4,4-difluorobutanoic acid.
What is the SMILES notation for 4-[2,4-di(propan-2-yl)phenyl]-4,4-difluorobutanoic acid?
The canonical SMILES for 4-[2,4-di(propan-2-yl)phenyl]-4,4-difluorobutanoic acid is CC(C)c1ccc(C(F)(F)CCC(=O)O)c(C(C)C)c1.
What is the InChIKey of 4-[2,4-di(propan-2-yl)phenyl]-4,4-difluorobutanoic acid?
The InChIKey is QGXOZBSEWPKQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O2/c1-10(2)12-5-6-14(13(9-12)11(3)4)16(17,18)8-7-15(19)20/h5-6,9-11H,7-8H2,1-4H3,(H,19,20).
What are the key properties of 4-[2,4-di(propan-2-yl)phenyl]-4,4-difluorobutanoic acid?
4-[2,4-di(propan-2-yl)phenyl]-4,4-difluorobutanoic acid has a molecular weight of 284.35 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-di(propan-2-yl)phenyl]-4,4-difluorobutanoic acid is sourced from PubChem (CID 29051981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).