6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene

C24H21F7 — CID 139856361

IUPAC6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene
SMILESCCCCCc1cc(F)c(CCc2ccc3c(F)c(C(F)(F)F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C24H21F7/c1-2-3-4-5-15-11-19(25)18(20(26)12-15)9-7-14-6-8-17-16(10-14)13-21(27)22(23(17)28)24(29,30)31/h6,8,10-13H,2-5,7,9H2,1H3
InChIKeyUIDUUIOSZGZELT-UHFFFAOYSA-N
MW442.42 g/mol
LogP7.93
Rot. Bonds7

About 6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene

6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene (PubChem CID 139856361) has the molecular formula C24H21F7 and a molecular weight of 442.42 g/mol. Its IUPAC name is 6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene
PubChem CID139856361
Molecular FormulaC24H21F7
Molecular Weight442.42 g/mol
Exact Mass442.15
IUPAC Name6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene
SMILESCCCCCc1cc(F)c(CCc2ccc3c(F)c(C(F)(F)F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C24H21F7/c1-2-3-4-5-15-11-19(25)18(20(26)12-15)9-7-14-6-8-17-16(10-14)13-21(27)22(23(17)28)24(29,30)31/h6,8,10-13H,2-5,7,9H2,1H3
InChIKeyUIDUUIOSZGZELT-UHFFFAOYSA-N
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.42
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-difluoro-6-(4-pentylphenyl)-2-(trifluoromethyl)naphthalene
CID 139855742
1,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]-2-(trifluoromethyl)naphthalene
CID 139856544
2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene
CID 139855620
6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855843
6-[2-(2,6-difluoro-4-propylphenyl)ethyl]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139874812
2-(2,2-difluoroethenyl)-6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-1,3-difluoronaphthalene
CID 139855835
6-[2-(2,6-difluoro-4-hexylphenyl)ethyl]-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139871047
2-[2-(4-chloro-3-fluorophenyl)ethyl]-6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-1-fluoronaphthalene
CID 139874931
2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-hexylpyridine
CID 139872473
[5,7-difluoro-6-(trifluoromethyl)naphthalen-2-yl] 4-heptylbenzoate
CID 139856181
6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139873862
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-1-fluoro-6-[2-(4-hexylphenyl)ethyl]naphthalene
CID 139851403

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene?
The IUPAC name of 6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene (CID 139856361) is 6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene.
What is the SMILES notation for 6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene?
The canonical SMILES for 6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene is CCCCCc1cc(F)c(CCc2ccc3c(F)c(C(F)(F)F)c(F)cc3c2)c(F)c1.
What is the InChIKey of 6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene?
The InChIKey is UIDUUIOSZGZELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F7/c1-2-3-4-5-15-11-19(25)18(20(26)12-15)9-7-14-6-8-17-16(10-14)13-21(27)22(23(17)28)24(29,30)31/h6,8,10-13H,2-5,7,9H2,1H3.
What are the key properties of 6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene?
6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene has a molecular weight of 442.42 g/mol, XLogP of 7.93, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene is sourced from PubChem (CID 139856361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).