2,4-difluoro-1-(2-methylpentan-2-yl)benzene

C12H16F2 — CID 126704363

IUPAC2,4-difluoro-1-(2-methylpentan-2-yl)benzene
SMILESCCCC(C)(C)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2/c1-4-7-12(2,3)10-6-5-9(13)8-11(10)14/h5-6,8H,4,7H2,1-3H3
InChIKeyAWGPGTBOSWMIIK-UHFFFAOYSA-N
MW198.26 g/mol
LogP4.04
Rot. Bonds3

About 2,4-difluoro-1-(2-methylpentan-2-yl)benzene

2,4-difluoro-1-(2-methylpentan-2-yl)benzene (PubChem CID 126704363) has the molecular formula C12H16F2 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2,4-difluoro-1-(2-methylpentan-2-yl)benzene.

Molecular Properties

Compound Name2,4-difluoro-1-(2-methylpentan-2-yl)benzene
PubChem CID126704363
Molecular FormulaC12H16F2
Molecular Weight198.26 g/mol
Exact Mass198.12
IUPAC Name2,4-difluoro-1-(2-methylpentan-2-yl)benzene
SMILESCCCC(C)(C)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2/c1-4-7-12(2,3)10-6-5-9(13)8-11(10)14/h5-6,8H,4,7H2,1-3H3
InChIKeyAWGPGTBOSWMIIK-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,4-difluoro-1-(2-methylpentan-2-yl)benzene 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

2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409
3-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 79838092
[4-fluoro-2-(2-methylpentan-2-yl)phenyl]phosphane
CID 174683734
4-fluoro-2-(2-methylpentan-2-yl)phenol
CID 87577772
2-(2,4-difluorophenyl)-N-ethyl-2-propylpentan-1-amine
CID 64558725
N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine
CID 115226390
2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride
CID 116866432
1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136355
[3,5-difluoro-2-(2-methylpentan-2-yl)phenyl]phosphane
CID 174672200
2-(2,4-difluorophenyl)propane-1,2-diol
CID 22107607
2-(2,4-difluorophenyl)-2-methylbutanenitrile
CID 117047762
N-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine
CID 115118563

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-(2-methylpentan-2-yl)benzene?
The IUPAC name of 2,4-difluoro-1-(2-methylpentan-2-yl)benzene (CID 126704363) is 2,4-difluoro-1-(2-methylpentan-2-yl)benzene.
What is the SMILES notation for 2,4-difluoro-1-(2-methylpentan-2-yl)benzene?
The canonical SMILES for 2,4-difluoro-1-(2-methylpentan-2-yl)benzene is CCCC(C)(C)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-1-(2-methylpentan-2-yl)benzene?
The InChIKey is AWGPGTBOSWMIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2/c1-4-7-12(2,3)10-6-5-9(13)8-11(10)14/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 2,4-difluoro-1-(2-methylpentan-2-yl)benzene?
2,4-difluoro-1-(2-methylpentan-2-yl)benzene has a molecular weight of 198.26 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-(2-methylpentan-2-yl)benzene is sourced from PubChem (CID 126704363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).