6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene

C25H15F7O — CID 139855989

IUPAC6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene
SMILESCCOc1cc(F)c(-c2ccc(-c3ccc4c(F)c(C(F)(F)F)ccc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C25H15F7O/c1-2-33-16-11-21(27)23(22(28)12-16)15-4-6-17(20(26)10-15)13-3-7-18-14(9-13)5-8-19(24(18)29)25(30,31)32/h3-12H,2H2,1H3
InChIKeyHXFIWIQKNPUGHO-UHFFFAOYSA-N
MW464.38 g/mol
LogP8.15
Rot. Bonds4

About 6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene

6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene (PubChem CID 139855989) has the molecular formula C25H15F7O and a molecular weight of 464.38 g/mol. Its IUPAC name is 6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene
PubChem CID139855989
Molecular FormulaC25H15F7O
Molecular Weight464.38 g/mol
Exact Mass464.10
IUPAC Name6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene
SMILESCCOc1cc(F)c(-c2ccc(-c3ccc4c(F)c(C(F)(F)F)ccc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C25H15F7O/c1-2-33-16-11-21(27)23(22(28)12-16)15-4-6-17(20(26)10-15)13-3-7-18-14(9-13)5-8-19(24(18)29)25(30,31)32/h3-12H,2H2,1H3
InChIKeyHXFIWIQKNPUGHO-UHFFFAOYSA-N
XLogP8.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.38
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139855616
2-(2,2-difluoroethenyl)-6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoronaphthalene
CID 139856152
6-(4-ethoxy-2,6-difluorophenyl)-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139875560
6-[(4-ethoxy-2,6-difluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139856566
6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139856090
1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)naphthalene
CID 139856614
1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(trifluoromethyl)naphthalene
CID 139856344
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethoxy-2-fluorophenyl)-1-fluoronaphthalene
CID 139873269
6-[4-(4-but-2-enoxy-2,6-difluorophenyl)-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene
CID 139856044
6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene
CID 139847195
6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855641
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-6-(4-ethoxy-2-fluorophenyl)-1-fluoronaphthalene
CID 139873746

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene?
The IUPAC name of 6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene (CID 139855989) is 6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene.
What is the SMILES notation for 6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene?
The canonical SMILES for 6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene is CCOc1cc(F)c(-c2ccc(-c3ccc4c(F)c(C(F)(F)F)ccc4c3)c(F)c2)c(F)c1.
What is the InChIKey of 6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene?
The InChIKey is HXFIWIQKNPUGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F7O/c1-2-33-16-11-21(27)23(22(28)12-16)15-4-6-17(20(26)10-15)13-3-7-18-14(9-13)5-8-19(24(18)29)25(30,31)32/h3-12H,2H2,1H3.
What are the key properties of 6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene?
6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene has a molecular weight of 464.38 g/mol, XLogP of 8.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene is sourced from PubChem (CID 139855989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).