6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene

C28H24F4 — CID 139871424

IUPAC6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
SMILESCCCCc1ccc(-c2ccc3c(F)c(CCc4cc(F)c(F)c(F)c4)ccc3c2)cc1
InChIInChI=1S/C28H24F4/c1-2-3-4-18-5-8-20(9-6-18)22-13-14-24-23(17-22)12-11-21(27(24)31)10-7-19-15-25(29)28(32)26(30)16-19/h5-6,8-9,11-17H,2-4,7,10H2,1H3
InChIKeyGMDTZZCMUODQKB-UHFFFAOYSA-N
MW436.49 g/mol
LogP8.19
Rot. Bonds7

About 6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene

6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene (PubChem CID 139871424) has the molecular formula C28H24F4 and a molecular weight of 436.49 g/mol. Its IUPAC name is 6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene.

Molecular Properties

Compound Name6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
PubChem CID139871424
Molecular FormulaC28H24F4
Molecular Weight436.49 g/mol
Exact Mass436.18
IUPAC Name6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
SMILESCCCCc1ccc(-c2ccc3c(F)c(CCc4cc(F)c(F)c(F)c4)ccc3c2)cc1
InChIInChI=1S/C28H24F4/c1-2-3-4-18-5-8-20(9-6-18)22-13-14-24-23(17-22)12-11-21(27(24)31)10-7-19-15-25(29)28(32)26(30)16-19/h5-6,8-9,11-17H,2-4,7,10H2,1H3
InChIKeyGMDTZZCMUODQKB-UHFFFAOYSA-N
XLogP8.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-(4-butyl-2,6-difluorophenyl)-2-[2-(4-chlorophenyl)ethyl]-1-fluoronaphthalene
CID 139873026
6-(4-butyl-2,6-difluorophenyl)-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene
CID 139871294
1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139873693
6-[2-(4-butoxyphenyl)ethyl]-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
CID 139871473
6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139873862
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-(4-hexylphenyl)naphthalene
CID 139875090
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylphenyl)naphthalene
CID 139873971
6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139871753
2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-(4-pentoxyphenyl)naphthalene
CID 139874640
6-(4-butyl-2-fluorophenyl)-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139874635
1,2-difluoro-6-(4-hexylphenyl)naphthalene
CID 139846673
1-fluoro-6-[2-(2-fluoro-4-pentylphenyl)ethyl]-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139874274

Frequently Asked Questions

What is the IUPAC name of 6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene?
The IUPAC name of 6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene (CID 139871424) is 6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene.
What is the SMILES notation for 6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene?
The canonical SMILES for 6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene is CCCCc1ccc(-c2ccc3c(F)c(CCc4cc(F)c(F)c(F)c4)ccc3c2)cc1.
What is the InChIKey of 6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene?
The InChIKey is GMDTZZCMUODQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F4/c1-2-3-4-18-5-8-20(9-6-18)22-13-14-24-23(17-22)12-11-21(27(24)31)10-7-19-15-25(29)28(32)26(30)16-19/h5-6,8-9,11-17H,2-4,7,10H2,1H3.
What are the key properties of 6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene?
6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene has a molecular weight of 436.49 g/mol, XLogP of 8.19, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene is sourced from PubChem (CID 139871424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).