2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene

C25H19F5O — CID 139960883

IUPAC2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
SMILESCCc1ccc(C2=CCc3c(ccc(-c4ccc(OC(F)(F)F)cc4)c3F)C2)c(F)c1
InChIInChI=1S/C25H19F5O/c1-2-15-3-10-20(23(26)13-15)17-6-12-22-18(14-17)7-11-21(24(22)27)16-4-8-19(9-5-16)31-25(28,29)30/h3-11,13H,2,12,14H2,1H3
InChIKeyWHUDKYKVMUUJQP-UHFFFAOYSA-N
MW430.42 g/mol
LogP7.28
Rot. Bonds4

About 2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene

2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene (PubChem CID 139960883) has the molecular formula C25H19F5O and a molecular weight of 430.42 g/mol. Its IUPAC name is 2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
PubChem CID139960883
Molecular FormulaC25H19F5O
Molecular Weight430.42 g/mol
Exact Mass430.14
IUPAC Name2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
SMILESCCc1ccc(C2=CCc3c(ccc(-c4ccc(OC(F)(F)F)cc4)c3F)C2)c(F)c1
InChIInChI=1S/C25H19F5O/c1-2-15-3-10-20(23(26)13-15)17-6-12-22-18(14-17)7-11-21(24(22)27)16-4-8-19(9-5-16)31-25(28,29)30/h3-11,13H,2,12,14H2,1H3
InChIKeyWHUDKYKVMUUJQP-UHFFFAOYSA-N
XLogP7.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.42
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-butyl-2-fluorophenyl)-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139960984
7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139884381
6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-5,7-difluoro-1,4-dihydronaphthalene
CID 139948697
1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 22045360
1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388417
2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139948831
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139949001
2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene
CID 139960733
2-(4-ethylphenyl)-5-fluoro-6-methoxy-1,4-dihydronaphthalene
CID 139960710
4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene
CID 146522341
7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-(4-ethyl-2-fluorophenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960554
3-(2,6-difluoro-4-propylphenyl)-8-fluoro-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
CID 139960351

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene?
The IUPAC name of 2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene (CID 139960883) is 2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene.
What is the SMILES notation for 2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene?
The canonical SMILES for 2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene is CCc1ccc(C2=CCc3c(ccc(-c4ccc(OC(F)(F)F)cc4)c3F)C2)c(F)c1.
What is the InChIKey of 2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene?
The InChIKey is WHUDKYKVMUUJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F5O/c1-2-15-3-10-20(23(26)13-15)17-6-12-22-18(14-17)7-11-21(24(22)27)16-4-8-19(9-5-16)31-25(28,29)30/h3-11,13H,2,12,14H2,1H3.
What are the key properties of 2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene?
2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene has a molecular weight of 430.42 g/mol, XLogP of 7.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene is sourced from PubChem (CID 139960883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).