1,2-difluoro-4-(fluoromethyl)-5-methylbenzene

C8H7F3 — CID 130909757

IUPAC1,2-difluoro-4-(fluoromethyl)-5-methylbenzene
SMILESCc1cc(F)c(F)cc1CF
InChIInChI=1S/C8H7F3/c1-5-2-7(10)8(11)3-6(5)4-9/h2-3H,4H2,1H3
InChIKeyWHAVINIVMCCIMA-UHFFFAOYSA-N
MW160.14 g/mol
LogP2.74
Rot. Bonds1

About 1,2-difluoro-4-(fluoromethyl)-5-methylbenzene

1,2-difluoro-4-(fluoromethyl)-5-methylbenzene (PubChem CID 130909757) has the molecular formula C8H7F3 and a molecular weight of 160.14 g/mol. Its IUPAC name is 1,2-difluoro-4-(fluoromethyl)-5-methylbenzene.

Molecular Properties

Compound Name1,2-difluoro-4-(fluoromethyl)-5-methylbenzene
PubChem CID130909757
Molecular FormulaC8H7F3
Molecular Weight160.14 g/mol
Exact Mass160.05
IUPAC Name1,2-difluoro-4-(fluoromethyl)-5-methylbenzene
SMILESCc1cc(F)c(F)cc1CF
InChIInChI=1S/C8H7F3/c1-5-2-7(10)8(11)3-6(5)4-9/h2-3H,4H2,1H3
InChIKeyWHAVINIVMCCIMA-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-difluoro-4-(fluoromethyl)-5-methylbenzene 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-chloro-2-fluoro-4-(fluoromethyl)-5-methylbenzene
CID 130952745
1-fluoro-2-(fluoromethyl)-4,5-dimethylbenzene
CID 118836013
(4,5-difluoro-2-methylphenyl)methanol;ethane
CID 154686336
1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene
CID 131118728
2-(fluoromethyl)-1,4-dimethylbenzene
CID 15724447
1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene
CID 131118392
ethane;(5-fluoro-2,4-dimethylphenyl)methanol
CID 154686554
N-cyano-2-(4,5-difluoro-2-methylphenyl)ethanethioamide
CID 159377153
1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene
CID 134572668
1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene
CID 160613848
1-chloro-4-(chloromethyl)-2-fluoro-5-methylbenzene
CID 131117181
1-(difluoromethoxy)-4,5-difluoro-2-(fluoromethyl)benzene
CID 130980335

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(fluoromethyl)-5-methylbenzene?
The IUPAC name of 1,2-difluoro-4-(fluoromethyl)-5-methylbenzene (CID 130909757) is 1,2-difluoro-4-(fluoromethyl)-5-methylbenzene.
What is the SMILES notation for 1,2-difluoro-4-(fluoromethyl)-5-methylbenzene?
The canonical SMILES for 1,2-difluoro-4-(fluoromethyl)-5-methylbenzene is Cc1cc(F)c(F)cc1CF.
What is the InChIKey of 1,2-difluoro-4-(fluoromethyl)-5-methylbenzene?
The InChIKey is WHAVINIVMCCIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3/c1-5-2-7(10)8(11)3-6(5)4-9/h2-3H,4H2,1H3.
What are the key properties of 1,2-difluoro-4-(fluoromethyl)-5-methylbenzene?
1,2-difluoro-4-(fluoromethyl)-5-methylbenzene has a molecular weight of 160.14 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-(fluoromethyl)-5-methylbenzene is sourced from PubChem (CID 130909757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).