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

C20H17F5O — CID 139961115

IUPAC6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene
SMILESCCCc1ccc(C2=Cc3cc(F)c(OC(F)(F)F)cc3CC2)c(F)c1
InChIInChI=1S/C20H17F5O/c1-2-3-12-4-7-16(17(21)8-12)14-6-5-13-11-19(26-20(23,24)25)18(22)10-15(13)9-14/h4,7-11H,2-3,5-6H2,1H3
InChIKeyXPONBJNYOHXULZ-UHFFFAOYSA-N
MW368.35 g/mol
LogP6.30
Rot. Bonds4

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

6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene (PubChem CID 139961115) has the molecular formula C20H17F5O and a molecular weight of 368.35 g/mol. Its IUPAC name is 6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene
PubChem CID139961115
Molecular FormulaC20H17F5O
Molecular Weight368.35 g/mol
Exact Mass368.12
IUPAC Name6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene
SMILESCCCc1ccc(C2=Cc3cc(F)c(OC(F)(F)F)cc3CC2)c(F)c1
InChIInChI=1S/C20H17F5O/c1-2-3-12-4-7-16(17(21)8-12)14-6-5-13-11-19(26-20(23,24)25)18(22)10-15(13)9-14/h4,7-11H,2-3,5-6H2,1H3
InChIKeyXPONBJNYOHXULZ-UHFFFAOYSA-N
XLogP6.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.35
LogP ≤ 56.30
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

3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961089
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-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961429
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
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
3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene
CID 139952241
3-[2-(4-butylcyclohexyl)ethyl]-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961406
2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene
CID 118474676
3-(4-ethylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961130

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene?
The IUPAC name of 6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene (CID 139961115) is 6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene.
What is the SMILES notation for 6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene?
The canonical SMILES for 6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene is CCCc1ccc(C2=Cc3cc(F)c(OC(F)(F)F)cc3CC2)c(F)c1.
What is the InChIKey of 6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene?
The InChIKey is XPONBJNYOHXULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F5O/c1-2-3-12-4-7-16(17(21)8-12)14-6-5-13-11-19(26-20(23,24)25)18(22)10-15(13)9-14/h4,7-11H,2-3,5-6H2,1H3.
What are the key properties of 6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene?
6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene has a molecular weight of 368.35 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene is sourced from PubChem (CID 139961115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).