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

C22H24F4 — CID 134273621

IUPAC1-[[2,3-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(Cc2ccc(CC3CCC(C)CC3)c(F)c2F)c(F)c1F
InChIInChI=1S/C22H24F4/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/h5,8-10,13,15H,3-4,6-7,11-12H2,1-2H3
InChIKeyCDLROPQACQQWFY-UHFFFAOYSA-N
MW364.43 g/mol
LogP6.51
Rot. Bonds4

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

1-[[2,3-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene (PubChem CID 134273621) has the molecular formula C22H24F4 and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-[[2,3-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[[2,3-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene
PubChem CID134273621
Molecular FormulaC22H24F4
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC Name1-[[2,3-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(Cc2ccc(CC3CCC(C)CC3)c(F)c2F)c(F)c1F
InChIInChI=1S/C22H24F4/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/h5,8-10,13,15H,3-4,6-7,11-12H2,1-2H3
InChIKeyCDLROPQACQQWFY-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.43
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[[2,3-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene with MolForge

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Related Compounds

2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane
CID 158762023
CID 161186786
CID 161186786
2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 20742506
2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene
CID 91116648
3-fluoro-1-[(4-methoxycyclohexyl)methyl]-2-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene
CID 58212285
1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene
CID 123270650
3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
CID 84790249
2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane
CID 145011796
1,2,8-trifluoro-7-methyl-3-[2-(4-methylcyclohexyl)ethyl]naphthalene
CID 59711169
ethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane
CID 142810006
1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene
CID 134273625
1-[(2,6-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-methylbenzene;2-[[4-[[4-[(3-fluoro-4-methylphenyl)methyl]phenyl]methyl]cyclohexyl]methyl]-5-methyloxane
CID 144959742

Frequently Asked Questions

What is the IUPAC name of 1-[[2,3-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-[[2,3-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene (CID 134273621) is 1-[[2,3-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-[[2,3-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-[[2,3-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene is Cc1ccc(Cc2ccc(CC3CCC(C)CC3)c(F)c2F)c(F)c1F.
What is the InChIKey of 1-[[2,3-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene?
The InChIKey is CDLROPQACQQWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4/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/h5,8-10,13,15H,3-4,6-7,11-12H2,1-2H3.
What are the key properties of 1-[[2,3-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene?
1-[[2,3-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene has a molecular weight of 364.43 g/mol, XLogP of 6.51, 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-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 134273621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).