1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene

C22H18F4 — CID 134273625

IUPAC1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene
SMILESCc1ccc(Cc2ccc(Cc3ccc(C)c(F)c3F)c(F)c2F)cc1
InChIInChI=1S/C22H18F4/c1-13-3-6-15(7-4-13)11-16-9-10-18(22(26)21(16)25)12-17-8-5-14(2)19(23)20(17)24/h3-10H,11-12H2,1-2H3
InChIKeyLCVXYLOFKHTVFY-UHFFFAOYSA-N
MW358.38 g/mol
LogP6.04
Rot. Bonds4

About 1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene

1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene (PubChem CID 134273625) has the molecular formula C22H18F4 and a molecular weight of 358.38 g/mol. Its IUPAC name is 1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene
PubChem CID134273625
Molecular FormulaC22H18F4
Molecular Weight358.38 g/mol
Exact Mass358.13
IUPAC Name1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene
SMILESCc1ccc(Cc2ccc(Cc3ccc(C)c(F)c3F)c(F)c2F)cc1
InChIInChI=1S/C22H18F4/c1-13-3-6-15(7-4-13)11-16-9-10-18(22(26)21(16)25)12-17-8-5-14(2)19(23)20(17)24/h3-10H,11-12H2,1-2H3
InChIKeyLCVXYLOFKHTVFY-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.38
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
CID 134273654
1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene
CID 89328807
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
1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 84654035
[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methanol
CID 91159196
1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane
CID 91507263
4-ethyliodanuidyl-1-methyl-2-[(4-methylphenyl)methyl]benzene
CID 152932841
2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene
CID 134556504
2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene
CID 22892261
1,4-ditert-butyl-2,5-bis[(4-methylphenyl)methyl]benzene
CID 174009855
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene?
The IUPAC name of 1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene (CID 134273625) is 1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene.
What is the SMILES notation for 1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene?
The canonical SMILES for 1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene is Cc1ccc(Cc2ccc(Cc3ccc(C)c(F)c3F)c(F)c2F)cc1.
What is the InChIKey of 1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene?
The InChIKey is LCVXYLOFKHTVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4/c1-13-3-6-15(7-4-13)11-16-9-10-18(22(26)21(16)25)12-17-8-5-14(2)19(23)20(17)24/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene?
1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene has a molecular weight of 358.38 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene is sourced from PubChem (CID 134273625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).