8-fluoro-3-hexyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene

C17H20F4O — CID 139960330

IUPAC8-fluoro-3-hexyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene
SMILESCCCCCCC1=Cc2ccc(OC(F)(F)F)c(F)c2CC1
InChIInChI=1S/C17H20F4O/c1-2-3-4-5-6-12-7-9-14-13(11-12)8-10-15(16(14)18)22-17(19,20)21/h8,10-11H,2-7,9H2,1H3
InChIKeyGGMAJWROVKEZFK-UHFFFAOYSA-N
MW316.34 g/mol
LogP6.02
Rot. Bonds6

About 8-fluoro-3-hexyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene

8-fluoro-3-hexyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene (PubChem CID 139960330) has the molecular formula C17H20F4O and a molecular weight of 316.34 g/mol. Its IUPAC name is 8-fluoro-3-hexyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name8-fluoro-3-hexyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene
PubChem CID139960330
Molecular FormulaC17H20F4O
Molecular Weight316.34 g/mol
Exact Mass316.15
IUPAC Name8-fluoro-3-hexyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene
SMILESCCCCCCC1=Cc2ccc(OC(F)(F)F)c(F)c2CC1
InChIInChI=1S/C17H20F4O/c1-2-3-4-5-6-12-7-9-14-13(11-12)8-10-15(16(14)18)22-17(19,20)21/h8,10-11H,2-7,9H2,1H3
InChIKeyGGMAJWROVKEZFK-UHFFFAOYSA-N
XLogP6.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.34
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-3-heptyl-1,2-dihydronaphthalene
CID 139960473
6,8-difluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pentyl-1,2-dihydronaphthalene
CID 139952098
8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene
CID 139960579
3-butyl-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960444
7-(2,3-difluorophenyl)-8-fluoro-3-hexyl-1,2-dihydronaphthalene
CID 139960597
6,8-difluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-pentylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139952091
7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-3-[2-(4-hexylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139960524
8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-propylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139960658
6,8-difluoro-3-heptyl-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene
CID 139952245
2-(2,6-difluoro-4-heptylphenyl)-5-fluoro-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139849351
7-(2,3-difluorophenyl)-8-fluoro-3-[2-(4-hexylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139960552
5-fluoro-2-(2-fluoro-4-hexylphenyl)-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848029

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-hexyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene?
The IUPAC name of 8-fluoro-3-hexyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene (CID 139960330) is 8-fluoro-3-hexyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene.
What is the SMILES notation for 8-fluoro-3-hexyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene?
The canonical SMILES for 8-fluoro-3-hexyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene is CCCCCCC1=Cc2ccc(OC(F)(F)F)c(F)c2CC1.
What is the InChIKey of 8-fluoro-3-hexyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene?
The InChIKey is GGMAJWROVKEZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F4O/c1-2-3-4-5-6-12-7-9-14-13(11-12)8-10-15(16(14)18)22-17(19,20)21/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 8-fluoro-3-hexyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene?
8-fluoro-3-hexyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene has a molecular weight of 316.34 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-hexyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene is sourced from PubChem (CID 139960330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).