6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-2-methyl-1-(trifluoromethyl)naphthalene

C28H23F5O — CID 58755986

IUPAC6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-2-methyl-1-(trifluoromethyl)naphthalene
SMILESCc1cc(C)c(C(F)(F)Oc2ccc(-c3ccc4c(C(F)(F)F)c(C)ccc4c3)cc2)c(C)c1
InChIInChI=1S/C28H23F5O/c1-16-13-18(3)25(19(4)14-16)28(32,33)34-23-10-7-20(8-11-23)21-9-12-24-22(15-21)6-5-17(2)26(24)27(29,30)31/h5-15H,1-4H3
InChIKeyVAHYJYXONANHNP-UHFFFAOYSA-N
MW470.48 g/mol
LogP8.89
Rot. Bonds4

About 6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-2-methyl-1-(trifluoromethyl)naphthalene

6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-2-methyl-1-(trifluoromethyl)naphthalene (PubChem CID 58755986) has the molecular formula C28H23F5O and a molecular weight of 470.48 g/mol. Its IUPAC name is 6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-2-methyl-1-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-2-methyl-1-(trifluoromethyl)naphthalene
PubChem CID58755986
Molecular FormulaC28H23F5O
Molecular Weight470.48 g/mol
Exact Mass470.17
IUPAC Name6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-2-methyl-1-(trifluoromethyl)naphthalene
SMILESCc1cc(C)c(C(F)(F)Oc2ccc(-c3ccc4c(C(F)(F)F)c(C)ccc4c3)cc2)c(C)c1
InChIInChI=1S/C28H23F5O/c1-16-13-18(3)25(19(4)14-16)28(32,33)34-23-10-7-20(8-11-23)21-9-12-24-22(15-21)6-5-17(2)26(24)27(29,30)31/h5-15H,1-4H3
InChIKeyVAHYJYXONANHNP-UHFFFAOYSA-N
XLogP8.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.48
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[difluoro-(2,4,6-trimethylphenyl)methoxy]-6-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene
CID 58756011
2-(3,5-difluoro-4-methylphenyl)-6-[difluoro-(2,4,6-trimethylphenyl)methoxy]naphthalene
CID 58755996
6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-1,3,8-trifluoro-2-methylnaphthalene
CID 58755953
2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene
CID 21138534
3-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]picene
CID 58426560
2-[(3,4-difluoro-5-methylphenoxy)-difluoromethyl]-1,3-dimethyl-5-(4-methylphenyl)benzene;ethane
CID 143209927
[4-[6-methyl-5,7-bis(trifluoromethyl)naphthalen-2-yl]phenyl] 2,4,6-trimethylbenzoate
CID 58756004
6-[(2,6-dimethyl-4-phenylphenyl)-difluoromethoxy]-1,3-difluoro-2-methylnaphthalene
CID 144604605
2-[4-[difluoro-[4-(4-methylphenyl)phenoxy]methyl]-2,3-difluoro-5-methylphenyl]oxirane
CID 89217523
2-methyl-6-[4-(trifluoromethoxy)phenyl]-1-benzofuran
CID 155607191
2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene
CID 143238943
6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]phenyl]-1,2,3-trifluoronaphthalene
CID 134554711

Frequently Asked Questions

What is the IUPAC name of 6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-2-methyl-1-(trifluoromethyl)naphthalene?
The IUPAC name of 6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-2-methyl-1-(trifluoromethyl)naphthalene (CID 58755986) is 6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-2-methyl-1-(trifluoromethyl)naphthalene.
What is the SMILES notation for 6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-2-methyl-1-(trifluoromethyl)naphthalene?
The canonical SMILES for 6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-2-methyl-1-(trifluoromethyl)naphthalene is Cc1cc(C)c(C(F)(F)Oc2ccc(-c3ccc4c(C(F)(F)F)c(C)ccc4c3)cc2)c(C)c1.
What is the InChIKey of 6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-2-methyl-1-(trifluoromethyl)naphthalene?
The InChIKey is VAHYJYXONANHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F5O/c1-16-13-18(3)25(19(4)14-16)28(32,33)34-23-10-7-20(8-11-23)21-9-12-24-22(15-21)6-5-17(2)26(24)27(29,30)31/h5-15H,1-4H3.
What are the key properties of 6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-2-methyl-1-(trifluoromethyl)naphthalene?
6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-2-methyl-1-(trifluoromethyl)naphthalene has a molecular weight of 470.48 g/mol, XLogP of 8.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-2-methyl-1-(trifluoromethyl)naphthalene is sourced from PubChem (CID 58755986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).