2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene

C24H28F4O — CID 21363214

IUPAC2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene
SMILESCc1cc(OC(F)(F)c2c(F)cc(CC3CCC(C)CC3)cc2F)cc(C)c1C
InChIInChI=1S/C24H28F4O/c1-14-5-7-18(8-6-14)11-19-12-21(25)23(22(26)13-19)24(27,28)29-20-9-15(2)17(4)16(3)10-20/h9-10,12-14,18H,5-8,11H2,1-4H3
InChIKeyMMAPLJCWUFILLE-UHFFFAOYSA-N
MW408.48 g/mol
LogP7.39
Rot. Bonds5

About 2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene

2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene (PubChem CID 21363214) has the molecular formula C24H28F4O and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene
PubChem CID21363214
Molecular FormulaC24H28F4O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene
SMILESCc1cc(OC(F)(F)c2c(F)cc(CC3CCC(C)CC3)cc2F)cc(C)c1C
InChIInChI=1S/C24H28F4O/c1-14-5-7-18(8-6-14)11-19-12-21(25)23(22(26)13-19)24(27,28)29-20-9-15(2)17(4)16(3)10-20/h9-10,12-14,18H,5-8,11H2,1-4H3
InChIKeyMMAPLJCWUFILLE-UHFFFAOYSA-N
XLogP7.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.48
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene with MolForge

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Related Compounds

5-(cyclohexylmethyl)-2-[difluoro-(3-fluoro-4,5-dimethylphenoxy)methyl]-1,3-difluorobenzene;2-[difluoro-(3-fluoro-4,5-dimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene;1,4-dimethylcyclohexane
CID 91353962
5-[4-[4-(cyclopropylmethyl)phenyl]-2-fluorophenyl]-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene
CID 159752884
2-[[3,5-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenoxy]-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene
CID 20705646
2-[difluoro-(3-fluoro-4-methylphenoxy)methyl]-5-[2-(4-ethoxycyclohexyl)ethyl]-1,3-difluorobenzene
CID 20654158
pentakis(5-[4-(cyclopentylmethyl)phenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene);methane
CID 159148391
5-[2-[4-[2-[2-fluoro-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]-1,2,3-trimethylbenzene
CID 21360213
2-[difluoro-[4-[[4-[(3,4,5-trimethylphenyl)methyl]cyclohexyl]methyl]phenyl]methoxy]-1,3,5-trimethylbenzene
CID 122659404
[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl] 4-methylcyclohexane-1-carboxylate
CID 23534752
4-(cyclohexylmethyl)-2-fluoro-1-methylbenzene;1-ethyl-4-methylcyclohexane
CID 90733445
2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene
CID 21049697
1,2,4,5-tetramethyl-3-[(4-methylcyclohexyl)methyl]benzene
CID 58224470
5-[difluoro-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]methoxy]-1,3-difluoro-2-(4-methylphenyl)benzene
CID 20705763

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene?
The IUPAC name of 2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene (CID 21363214) is 2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene.
What is the SMILES notation for 2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene?
The canonical SMILES for 2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene is Cc1cc(OC(F)(F)c2c(F)cc(CC3CCC(C)CC3)cc2F)cc(C)c1C.
What is the InChIKey of 2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene?
The InChIKey is MMAPLJCWUFILLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4O/c1-14-5-7-18(8-6-14)11-19-12-21(25)23(22(26)13-19)24(27,28)29-20-9-15(2)17(4)16(3)10-20/h9-10,12-14,18H,5-8,11H2,1-4H3.
What are the key properties of 2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene?
2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene has a molecular weight of 408.48 g/mol, XLogP of 7.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene is sourced from PubChem (CID 21363214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).