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

C27H23F5O — CID 139960432

IUPAC3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene
SMILESCCCCc1ccc(C2=Cc3ccc(-c4ccc(OC)c(F)c4F)c(F)c3CC2)c(F)c1F
InChIInChI=1S/C27H23F5O/c1-3-4-5-15-6-9-19(25(30)23(15)28)17-7-10-18-16(14-17)8-11-20(24(18)29)21-12-13-22(33-2)27(32)26(21)31/h6,8-9,11-14H,3-5,7,10H2,1-2H3
InChIKeyJTBHRLUZTVEDSE-UHFFFAOYSA-N
MW458.47 g/mol
LogP7.89
Rot. Bonds6

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

3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene (PubChem CID 139960432) has the molecular formula C27H23F5O and a molecular weight of 458.47 g/mol. Its IUPAC name is 3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene
PubChem CID139960432
Molecular FormulaC27H23F5O
Molecular Weight458.47 g/mol
Exact Mass458.17
IUPAC Name3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene
SMILESCCCCc1ccc(C2=Cc3ccc(-c4ccc(OC)c(F)c4F)c(F)c3CC2)c(F)c1F
InChIInChI=1S/C27H23F5O/c1-3-4-5-15-6-9-19(25(30)23(15)28)17-7-10-18-16(14-17)8-11-20(24(18)29)21-12-13-22(33-2)27(32)26(21)31/h6,8-9,11-14H,3-5,7,10H2,1-2H3
InChIKeyJTBHRLUZTVEDSE-UHFFFAOYSA-N
XLogP7.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.47
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-butyl-2,3-difluorophenyl)-7-ethyl-8-fluoro-1,2-dihydronaphthalene
CID 139960469
3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961395
3-butyl-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960444
7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-3-heptyl-1,2-dihydronaphthalene
CID 139960473
3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961178
7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene
CID 139960643
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]ethyl]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 88967533
1-(2,3-difluoro-4-pentylphenyl)-2,3-difluoro-4-prop-1-enoxybenzene
CID 123708211
1,8-difluoro-2-heptyl-7-hexyl-9,10-dihydrophenanthrene
CID 174389855
3-(4-butyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961426
1-[2-(4-decylcyclohexyl)ethyl]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 59874056
1,8-difluoro-2-hexyl-7-propoxy-9,10-dihydrophenanthrene
CID 174404195

Frequently Asked Questions

What is the IUPAC name of 3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene?
The IUPAC name of 3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene (CID 139960432) is 3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene.
What is the SMILES notation for 3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene?
The canonical SMILES for 3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene is CCCCc1ccc(C2=Cc3ccc(-c4ccc(OC)c(F)c4F)c(F)c3CC2)c(F)c1F.
What is the InChIKey of 3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene?
The InChIKey is JTBHRLUZTVEDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F5O/c1-3-4-5-15-6-9-19(25(30)23(15)28)17-7-10-18-16(14-17)8-11-20(24(18)29)21-12-13-22(33-2)27(32)26(21)31/h6,8-9,11-14H,3-5,7,10H2,1-2H3.
What are the key properties of 3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene?
3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene has a molecular weight of 458.47 g/mol, XLogP of 7.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene is sourced from PubChem (CID 139960432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).