3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene

C19H15F5O — CID 139961089

IUPAC3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene
SMILESCCc1ccc(C2=Cc3cc(F)c(OC(F)(F)F)cc3CC2)c(F)c1
InChIInChI=1S/C19H15F5O/c1-2-11-3-6-15(16(20)7-11)13-5-4-12-10-18(25-19(22,23)24)17(21)9-14(12)8-13/h3,6-10H,2,4-5H2,1H3
InChIKeyCCUSGRNYRIUTJH-UHFFFAOYSA-N
MW354.32 g/mol
LogP5.91
Rot. Bonds3

About 3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene

3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene (PubChem CID 139961089) has the molecular formula C19H15F5O and a molecular weight of 354.32 g/mol. Its IUPAC name is 3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene
PubChem CID139961089
Molecular FormulaC19H15F5O
Molecular Weight354.32 g/mol
Exact Mass354.10
IUPAC Name3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene
SMILESCCc1ccc(C2=Cc3cc(F)c(OC(F)(F)F)cc3CC2)c(F)c1
InChIInChI=1S/C19H15F5O/c1-2-11-3-6-15(16(20)7-11)13-5-4-12-10-18(25-19(22,23)24)17(21)9-14(12)8-13/h3,6-10H,2,4-5H2,1H3
InChIKeyCCUSGRNYRIUTJH-UHFFFAOYSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.32
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961115
3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961429
3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene
CID 139952241
3-(4-butyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961426
6-fluoro-3-(2-fluoro-4-pentylphenyl)-7-methoxy-1,2-dihydronaphthalene
CID 139961212
3-(4-ethylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961130
7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-(4-ethyl-2-fluorophenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960554
3-(4-butyl-2,6-difluorophenyl)-6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
CID 139961399
6,8-difluoro-3-(2-fluoro-4-pentylphenyl)-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
CID 139952140
ethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene
CID 143588899
6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene
CID 139961192
3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961178

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene?
The IUPAC name of 3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene (CID 139961089) is 3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene.
What is the SMILES notation for 3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene?
The canonical SMILES for 3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene is CCc1ccc(C2=Cc3cc(F)c(OC(F)(F)F)cc3CC2)c(F)c1.
What is the InChIKey of 3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene?
The InChIKey is CCUSGRNYRIUTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F5O/c1-2-11-3-6-15(16(20)7-11)13-5-4-12-10-18(25-19(22,23)24)17(21)9-14(12)8-13/h3,6-10H,2,4-5H2,1H3.
What are the key properties of 3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene?
3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene has a molecular weight of 354.32 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene is sourced from PubChem (CID 139961089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).