7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-3-heptyl-1,2-dihydronaphthalene

C24H27F3O — CID 139960473

IUPAC7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-3-heptyl-1,2-dihydronaphthalene
SMILESCCCCCCCC1=Cc2ccc(-c3ccc(OC)c(F)c3F)c(F)c2CC1
InChIInChI=1S/C24H27F3O/c1-3-4-5-6-7-8-16-9-11-18-17(15-16)10-12-19(22(18)25)20-13-14-21(28-2)24(27)23(20)26/h10,12-15H,3-9,11H2,1-2H3
InChIKeyWUNSGOJPOVSXBB-UHFFFAOYSA-N
MW388.47 g/mol
LogP7.47
Rot. Bonds8

About 7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-3-heptyl-1,2-dihydronaphthalene

7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-3-heptyl-1,2-dihydronaphthalene (PubChem CID 139960473) has the molecular formula C24H27F3O and a molecular weight of 388.47 g/mol. Its IUPAC name is 7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-3-heptyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-3-heptyl-1,2-dihydronaphthalene
PubChem CID139960473
Molecular FormulaC24H27F3O
Molecular Weight388.47 g/mol
Exact Mass388.20
IUPAC Name7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-3-heptyl-1,2-dihydronaphthalene
SMILESCCCCCCCC1=Cc2ccc(-c3ccc(OC)c(F)c3F)c(F)c2CC1
InChIInChI=1S/C24H27F3O/c1-3-4-5-6-7-8-16-9-11-18-17(15-16)10-12-19(22(18)25)20-13-14-21(28-2)24(27)23(20)26/h10,12-15H,3-9,11H2,1-2H3
InChIKeyWUNSGOJPOVSXBB-UHFFFAOYSA-N
XLogP7.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 57.47
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

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
8-fluoro-3-hexyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139960330
3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960432
7-(2,3-difluorophenyl)-8-fluoro-3-[2-(4-hexylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139960552
7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-3-[2-(4-hexylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139960524
3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960499
8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene
CID 139960579
6,8-difluoro-3-heptyl-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene
CID 139952245
6,8-difluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pentyl-1,2-dihydronaphthalene
CID 139952098
7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene
CID 139961245
2,3-difluoro-1-[3-fluoro-4-(4-hexylphenyl)phenyl]-4-methoxybenzene
CID 121369860

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-3-heptyl-1,2-dihydronaphthalene?
The IUPAC name of 7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-3-heptyl-1,2-dihydronaphthalene (CID 139960473) is 7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-3-heptyl-1,2-dihydronaphthalene.
What is the SMILES notation for 7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-3-heptyl-1,2-dihydronaphthalene?
The canonical SMILES for 7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-3-heptyl-1,2-dihydronaphthalene is CCCCCCCC1=Cc2ccc(-c3ccc(OC)c(F)c3F)c(F)c2CC1.
What is the InChIKey of 7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-3-heptyl-1,2-dihydronaphthalene?
The InChIKey is WUNSGOJPOVSXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3O/c1-3-4-5-6-7-8-16-9-11-18-17(15-16)10-12-19(22(18)25)20-13-14-21(28-2)24(27)23(20)26/h10,12-15H,3-9,11H2,1-2H3.
What are the key properties of 7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-3-heptyl-1,2-dihydronaphthalene?
7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-3-heptyl-1,2-dihydronaphthalene has a molecular weight of 388.47 g/mol, XLogP of 7.47, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-3-heptyl-1,2-dihydronaphthalene is sourced from PubChem (CID 139960473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).