6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene

C30H28F4 — CID 139873862

IUPAC6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
SMILESCCCCc1cc(F)c(CCc2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)c(F)c1
InChIInChI=1S/C30H28F4/c1-2-3-4-22-18-28(32)27(29(33)19-22)16-9-21-8-15-26-24(17-21)12-11-23(30(26)34)10-5-20-6-13-25(31)14-7-20/h6-8,11-15,17-19H,2-5,9-10,16H2,1H3
InChIKeyMSKDAMGFWJCFHH-UHFFFAOYSA-N
MW464.55 g/mol
LogP8.31
Rot. Bonds9

About 6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene

6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene (PubChem CID 139873862) has the molecular formula C30H28F4 and a molecular weight of 464.55 g/mol. Its IUPAC name is 6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene.

Molecular Properties

Compound Name6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
PubChem CID139873862
Molecular FormulaC30H28F4
Molecular Weight464.55 g/mol
Exact Mass464.21
IUPAC Name6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
SMILESCCCCc1cc(F)c(CCc2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)c(F)c1
InChIInChI=1S/C30H28F4/c1-2-3-4-22-18-28(32)27(29(33)19-22)16-9-21-8-15-26-24(17-21)12-11-23(30(26)34)10-5-20-6-13-25(31)14-7-20/h6-8,11-15,17-19H,2-5,9-10,16H2,1H3
InChIKeyMSKDAMGFWJCFHH-UHFFFAOYSA-N
XLogP8.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.55
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-6-[2-(2-fluoro-4-pentylphenyl)ethyl]-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139874274
2-[2-(4-chloro-3-fluorophenyl)ethyl]-6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-1-fluoronaphthalene
CID 139874931
6-[2-(2,6-difluoro-4-hexylphenyl)ethyl]-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139871047
6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
CID 139871424
6-(4-butyl-2,6-difluorophenyl)-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene
CID 139871294
6-[2-(2,6-difluoro-4-heptoxyphenyl)ethyl]-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
CID 139871404
6-(4-butyl-2,6-difluorophenyl)-2-[2-(4-chlorophenyl)ethyl]-1-fluoronaphthalene
CID 139873026
6-[2-(2,6-difluoro-4-propylphenyl)ethyl]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139874812
6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene
CID 139872902
2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-(2-fluoro-4-pentylphenyl)ethyl]naphthalene
CID 139874282
6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139871753
2,6-difluoro-4-[2-[1-fluoro-6-[2-(4-pentylphenyl)ethyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139874017

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene?
The IUPAC name of 6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene (CID 139873862) is 6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene.
What is the SMILES notation for 6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene?
The canonical SMILES for 6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene is CCCCc1cc(F)c(CCc2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)c(F)c1.
What is the InChIKey of 6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene?
The InChIKey is MSKDAMGFWJCFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F4/c1-2-3-4-22-18-28(32)27(29(33)19-22)16-9-21-8-15-26-24(17-21)12-11-23(30(26)34)10-5-20-6-13-25(31)14-7-20/h6-8,11-15,17-19H,2-5,9-10,16H2,1H3.
What are the key properties of 6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene?
6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene has a molecular weight of 464.55 g/mol, XLogP of 8.31, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene is sourced from PubChem (CID 139873862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).