6-(4-butyl-2,6-difluorophenyl)-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene

C28H23F5 — CID 139871294

IUPAC6-(4-butyl-2,6-difluorophenyl)-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene
SMILESCCCCc1cc(F)c(-c2ccc3c(F)c(CCc4ccc(F)c(F)c4)ccc3c2)c(F)c1
InChIInChI=1S/C28H23F5/c1-2-3-4-18-14-25(31)27(26(32)15-18)21-10-11-22-20(16-21)9-8-19(28(22)33)7-5-17-6-12-23(29)24(30)13-17/h6,8-16H,2-5,7H2,1H3
InChIKeyLGAQGDFODOHWBD-UHFFFAOYSA-N
MW454.48 g/mol
LogP8.33
Rot. Bonds7

About 6-(4-butyl-2,6-difluorophenyl)-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene

6-(4-butyl-2,6-difluorophenyl)-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene (PubChem CID 139871294) has the molecular formula C28H23F5 and a molecular weight of 454.48 g/mol. Its IUPAC name is 6-(4-butyl-2,6-difluorophenyl)-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene.

Molecular Properties

Compound Name6-(4-butyl-2,6-difluorophenyl)-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene
PubChem CID139871294
Molecular FormulaC28H23F5
Molecular Weight454.48 g/mol
Exact Mass454.17
IUPAC Name6-(4-butyl-2,6-difluorophenyl)-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene
SMILESCCCCc1cc(F)c(-c2ccc3c(F)c(CCc4ccc(F)c(F)c4)ccc3c2)c(F)c1
InChIInChI=1S/C28H23F5/c1-2-3-4-18-14-25(31)27(26(32)15-18)21-10-11-22-20(16-21)9-8-19(28(22)33)7-5-17-6-12-23(29)24(30)13-17/h6,8-16H,2-5,7H2,1H3
InChIKeyLGAQGDFODOHWBD-UHFFFAOYSA-N
XLogP8.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.48
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-(4-butyl-2,6-difluorophenyl)-2-[2-(4-chlorophenyl)ethyl]-1-fluoronaphthalene
CID 139873026
6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
CID 139871424
6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139871753
2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-pentylpyrimidine
CID 139870946
6-[2-(4-butylphenyl)ethynyl]-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene
CID 139850694
6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139873862
6-(2,6-difluoro-4-heptylphenyl)-2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoronaphthalene
CID 139873860
2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-hexylpyridine
CID 139873040
2-[2-(4-chloro-3-fluorophenyl)ethyl]-6-(4-ethyl-2,6-difluorophenyl)-1-fluoronaphthalene
CID 139870746
6-(4-butyl-2-fluorophenyl)-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139874635
6-(2,6-difluoro-4-propylphenyl)-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139872854
6-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
CID 139875545

Frequently Asked Questions

What is the IUPAC name of 6-(4-butyl-2,6-difluorophenyl)-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene?
The IUPAC name of 6-(4-butyl-2,6-difluorophenyl)-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene (CID 139871294) is 6-(4-butyl-2,6-difluorophenyl)-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene.
What is the SMILES notation for 6-(4-butyl-2,6-difluorophenyl)-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene?
The canonical SMILES for 6-(4-butyl-2,6-difluorophenyl)-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene is CCCCc1cc(F)c(-c2ccc3c(F)c(CCc4ccc(F)c(F)c4)ccc3c2)c(F)c1.
What is the InChIKey of 6-(4-butyl-2,6-difluorophenyl)-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene?
The InChIKey is LGAQGDFODOHWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F5/c1-2-3-4-18-14-25(31)27(26(32)15-18)21-10-11-22-20(16-21)9-8-19(28(22)33)7-5-17-6-12-23(29)24(30)13-17/h6,8-16H,2-5,7H2,1H3.
What are the key properties of 6-(4-butyl-2,6-difluorophenyl)-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene?
6-(4-butyl-2,6-difluorophenyl)-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene has a molecular weight of 454.48 g/mol, XLogP of 8.33, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butyl-2,6-difluorophenyl)-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene is sourced from PubChem (CID 139871294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).