6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene

C30H17F7O — CID 118900750

IUPAC6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene
SMILESCc1ccc(-c2ccc(-c3ccc(C(F)(F)Oc4ccc5c(F)c(F)c(F)cc5c4)c(F)c3F)cc2)cc1
InChIInChI=1S/C30H17F7O/c1-16-2-4-17(5-3-16)18-6-8-19(9-7-18)22-12-13-24(28(34)26(22)32)30(36,37)38-21-10-11-23-20(14-21)15-25(31)29(35)27(23)33/h2-15H,1H3
InChIKeyNXEULFZJJOWRAC-UHFFFAOYSA-N
MW526.45 g/mol
LogP9.31
Rot. Bonds5

About 6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene

6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene (PubChem CID 118900750) has the molecular formula C30H17F7O and a molecular weight of 526.45 g/mol. Its IUPAC name is 6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene.

Molecular Properties

Compound Name6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene
PubChem CID118900750
Molecular FormulaC30H17F7O
Molecular Weight526.45 g/mol
Exact Mass526.12
IUPAC Name6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene
SMILESCc1ccc(-c2ccc(-c3ccc(C(F)(F)Oc4ccc5c(F)c(F)c(F)cc5c4)c(F)c3F)cc2)cc1
InChIInChI=1S/C30H17F7O/c1-16-2-4-17(5-3-16)18-6-8-19(9-7-18)22-12-13-24(28(34)26(22)32)30(36,37)38-21-10-11-23-20(14-21)15-25(31)29(35)27(23)33/h2-15H,1H3
InChIKeyNXEULFZJJOWRAC-UHFFFAOYSA-N
XLogP9.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.45
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene 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-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3-fluorophenyl]-2,3-difluoro-4-(4-methylphenyl)benzene
CID 118603334
1-[difluoro-(4-methylphenoxy)methyl]-4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorobenzene
CID 129159429
6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,2,3-trifluoronaphthalene
CID 139854299
1-[difluoro-[3-fluoro-4-(4-fluorophenyl)phenoxy]methyl]-2,3-difluoro-4-methylbenzene
CID 129159452
1-[2,3-difluoro-4-(4-propylphenyl)phenyl]-4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorobenzene
CID 118611915
6-[2-[4-(2,3-difluoro-4-propylphenyl)phenoxy]-1,1-difluoroethoxy]-1,2,3-trifluoronaphthalene
CID 118858748
6-[difluoro-(2-fluoro-4-pentylphenyl)methoxy]-1,2,3-trifluoronaphthalene
CID 139854272
6-[[2,6-difluoro-4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138468373
1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 118592629
1-[difluoro-[2-fluoro-3-(trifluoromethyl)phenoxy]methyl]-2,3-difluoro-4-(4-methylphenyl)benzene
CID 138636371
6-[[2,6-difluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene
CID 134554735
1-[difluoro-[3-fluoro-4-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]phenoxy]methyl]-2,3-difluoro-4-methylbenzene
CID 129159536

Frequently Asked Questions

What is the IUPAC name of 6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene?
The IUPAC name of 6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene (CID 118900750) is 6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene.
What is the SMILES notation for 6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene?
The canonical SMILES for 6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene is Cc1ccc(-c2ccc(-c3ccc(C(F)(F)Oc4ccc5c(F)c(F)c(F)cc5c4)c(F)c3F)cc2)cc1.
What is the InChIKey of 6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene?
The InChIKey is NXEULFZJJOWRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17F7O/c1-16-2-4-17(5-3-16)18-6-8-19(9-7-18)22-12-13-24(28(34)26(22)32)30(36,37)38-21-10-11-23-20(14-21)15-25(31)29(35)27(23)33/h2-15H,1H3.
What are the key properties of 6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene?
6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene has a molecular weight of 526.45 g/mol, XLogP of 9.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene is sourced from PubChem (CID 118900750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).