1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]methoxy]-5-methylbenzene

C26H16F6O — CID 130203768

IUPAC1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]methoxy]-5-methylbenzene
SMILESCc1cc(F)c(OCc2ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)cc2)c(F)c1
InChIInChI=1S/C26H16F6O/c1-14-8-23(30)26(24(31)9-14)33-13-15-2-4-16(5-3-15)17-6-7-19(20(27)10-17)18-11-21(28)25(32)22(29)12-18/h2-12H,13H2,1H3
InChIKeyGIHPCTASOUFEDR-UHFFFAOYSA-N
MW458.40 g/mol
LogP7.74
Rot. Bonds5

About 1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]methoxy]-5-methylbenzene

1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]methoxy]-5-methylbenzene (PubChem CID 130203768) has the molecular formula C26H16F6O and a molecular weight of 458.40 g/mol. Its IUPAC name is 1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]methoxy]-5-methylbenzene.

Molecular Properties

Compound Name1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]methoxy]-5-methylbenzene
PubChem CID130203768
Molecular FormulaC26H16F6O
Molecular Weight458.40 g/mol
Exact Mass458.11
IUPAC Name1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]methoxy]-5-methylbenzene
SMILESCc1cc(F)c(OCc2ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)cc2)c(F)c1
InChIInChI=1S/C26H16F6O/c1-14-8-23(30)26(24(31)9-14)33-13-15-2-4-16(5-3-15)17-6-7-19(20(27)10-17)18-11-21(28)25(32)22(29)12-18/h2-12H,13H2,1H3
InChIKeyGIHPCTASOUFEDR-UHFFFAOYSA-N
XLogP7.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.40
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-[(3,4,5-trifluorophenyl)methoxy]benzene
CID 130201925
1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]-2-[(3,4,5-trifluorophenyl)methoxy]benzene
CID 90410644
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 59814115
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 158177832
1,3-difluoro-2-[[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]methoxy]-5-pentylbenzene
CID 130191414
6-[[4-(4-ethyl-2-fluorophenyl)-2,6-difluorophenoxy]methyl]-1,2,3-trifluoronaphthalene
CID 134554724
5-(4-butyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-butylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene
CID 158353997
fluoromethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 161382729
ethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 144658313
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-prop-2-enylphenyl)phenyl]phenyl]benzene
CID 69096700
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-methylpyrimidine
CID 71024195

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]methoxy]-5-methylbenzene?
The IUPAC name of 1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]methoxy]-5-methylbenzene (CID 130203768) is 1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]methoxy]-5-methylbenzene.
What is the SMILES notation for 1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]methoxy]-5-methylbenzene?
The canonical SMILES for 1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]methoxy]-5-methylbenzene is Cc1cc(F)c(OCc2ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)cc2)c(F)c1.
What is the InChIKey of 1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]methoxy]-5-methylbenzene?
The InChIKey is GIHPCTASOUFEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F6O/c1-14-8-23(30)26(24(31)9-14)33-13-15-2-4-16(5-3-15)17-6-7-19(20(27)10-17)18-11-21(28)25(32)22(29)12-18/h2-12H,13H2,1H3.
What are the key properties of 1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]methoxy]-5-methylbenzene?
1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]methoxy]-5-methylbenzene has a molecular weight of 458.40 g/mol, XLogP of 7.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]methoxy]-5-methylbenzene is sourced from PubChem (CID 130203768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).