2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene

C27H24F4O — CID 139960733

IUPAC2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene
SMILESCCCCc1ccc(C2=CCc3c(ccc(-c4ccc(OC)c(F)c4F)c3F)C2)c(F)c1
InChIInChI=1S/C27H24F4O/c1-3-4-5-16-6-9-19(23(28)14-16)17-7-10-20-18(15-17)8-11-21(25(20)29)22-12-13-24(32-2)27(31)26(22)30/h6-9,11-14H,3-5,10,15H2,1-2H3
InChIKeyJMJIKBINADQCSG-UHFFFAOYSA-N
MW440.48 g/mol
LogP7.44
Rot. Bonds6

About 2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene

2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene (PubChem CID 139960733) has the molecular formula C27H24F4O and a molecular weight of 440.48 g/mol. Its IUPAC name is 2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene
PubChem CID139960733
Molecular FormulaC27H24F4O
Molecular Weight440.48 g/mol
Exact Mass440.18
IUPAC Name2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene
SMILESCCCCc1ccc(C2=CCc3c(ccc(-c4ccc(OC)c(F)c4F)c3F)C2)c(F)c1
InChIInChI=1S/C27H24F4O/c1-3-4-5-16-6-9-19(23(28)14-16)17-7-10-20-18(15-17)8-11-21(25(20)29)22-12-13-24(32-2)27(31)26(22)30/h6-9,11-14H,3-5,10,15H2,1-2H3
InChIKeyJMJIKBINADQCSG-UHFFFAOYSA-N
XLogP7.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.48
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene with MolForge

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Related Compounds

2-(4-butyl-2-fluorophenyl)-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139960984
5-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene
CID 139960788
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139948920
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139949001
2-(4-ethylphenyl)-5-fluoro-6-methoxy-1,4-dihydronaphthalene
CID 139960710
2-(2,6-difluoro-4-pentylphenyl)-5-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139960805
6-(2,3-difluoro-4-methoxyphenyl)-2-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
CID 139961587
2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139960883
3-(4-butyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961426
1-decoxy-2,3-difluoro-4-(2-fluoro-4-nonylphenyl)benzene
CID 70190083
2,3-difluoro-1-[3-fluoro-4-(4-hexylphenyl)phenyl]-4-methoxybenzene
CID 121369860
6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene
CID 139961732

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene?
The IUPAC name of 2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene (CID 139960733) is 2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene.
What is the SMILES notation for 2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene?
The canonical SMILES for 2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene is CCCCc1ccc(C2=CCc3c(ccc(-c4ccc(OC)c(F)c4F)c3F)C2)c(F)c1.
What is the InChIKey of 2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene?
The InChIKey is JMJIKBINADQCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F4O/c1-3-4-5-16-6-9-19(23(28)14-16)17-7-10-20-18(15-17)8-11-21(25(20)29)22-12-13-24(32-2)27(31)26(22)30/h6-9,11-14H,3-5,10,15H2,1-2H3.
What are the key properties of 2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene?
2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene has a molecular weight of 440.48 g/mol, XLogP of 7.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene is sourced from PubChem (CID 139960733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).