2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene

C22H19F3 — CID 134273654

IUPAC2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
SMILESCc1ccc(Cc2ccc(Cc3ccc(C)c(F)c3F)cc2F)cc1
InChIInChI=1S/C22H19F3/c1-14-3-6-16(7-4-14)11-18-10-8-17(13-20(18)23)12-19-9-5-15(2)21(24)22(19)25/h3-10,13H,11-12H2,1-2H3
InChIKeyQMFRFCQOLBLAAI-UHFFFAOYSA-N
MW340.39 g/mol
LogP5.90
Rot. Bonds4

About 2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene

2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene (PubChem CID 134273654) has the molecular formula C22H19F3 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene.

Molecular Properties

Compound Name2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
PubChem CID134273654
Molecular FormulaC22H19F3
Molecular Weight340.39 g/mol
Exact Mass340.14
IUPAC Name2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
SMILESCc1ccc(Cc2ccc(Cc3ccc(C)c(F)c3F)cc2F)cc1
InChIInChI=1S/C22H19F3/c1-14-3-6-16(7-4-14)11-18-10-8-17(13-20(18)23)12-19-9-5-15(2)21(24)22(19)25/h3-10,13H,11-12H2,1-2H3
InChIKeyQMFRFCQOLBLAAI-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.39
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-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-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene
CID 134273625
2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene
CID 134273598
2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
CID 134273599
[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methanol
CID 91159196
1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene
CID 89328807
2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene
CID 165003126
1-[6-[(2,3-difluoro-4-methylphenyl)methyl]-1H-indol-3-yl]-N-methylmethanamine
CID 134357248
1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 84654035
1-[2,6-difluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-2,3-difluoro-4-methylbenzene
CID 155148619
2,3-difluoro-1-methyl-4-[2-(2,4,5-trifluorophenyl)ethyl]benzene
CID 155200965
1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene
CID 134273607
1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 61033370

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene?
The IUPAC name of 2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene (CID 134273654) is 2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene.
What is the SMILES notation for 2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene?
The canonical SMILES for 2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene is Cc1ccc(Cc2ccc(Cc3ccc(C)c(F)c3F)cc2F)cc1.
What is the InChIKey of 2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene?
The InChIKey is QMFRFCQOLBLAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3/c1-14-3-6-16(7-4-14)11-18-10-8-17(13-20(18)23)12-19-9-5-15(2)21(24)22(19)25/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene?
2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene has a molecular weight of 340.39 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene is sourced from PubChem (CID 134273654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).