2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethyl-2-fluorophenyl)-1-fluoronaphthalene

C27H19F7 — CID 139874865

IUPAC2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethyl-2-fluorophenyl)-1-fluoronaphthalene
SMILESCCc1ccc(-c2ccc3c(F)c(CCc4cc(F)c(C(F)(F)F)c(F)c4)ccc3c2)c(F)c1
InChIInChI=1S/C27H19F7/c1-2-15-4-9-20(22(28)11-15)18-8-10-21-19(14-18)7-6-17(26(21)31)5-3-16-12-23(29)25(24(30)13-16)27(32,33)34/h4,6-14H,2-3,5H2,1H3
InChIKeyGKFUZSHOUHLMSM-UHFFFAOYSA-N
MW476.44 g/mol
LogP8.43
Rot. Bonds5

About 2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethyl-2-fluorophenyl)-1-fluoronaphthalene

2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethyl-2-fluorophenyl)-1-fluoronaphthalene (PubChem CID 139874865) has the molecular formula C27H19F7 and a molecular weight of 476.44 g/mol. Its IUPAC name is 2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethyl-2-fluorophenyl)-1-fluoronaphthalene.

Molecular Properties

Compound Name2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethyl-2-fluorophenyl)-1-fluoronaphthalene
PubChem CID139874865
Molecular FormulaC27H19F7
Molecular Weight476.44 g/mol
Exact Mass476.14
IUPAC Name2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethyl-2-fluorophenyl)-1-fluoronaphthalene
SMILESCCc1ccc(-c2ccc3c(F)c(CCc4cc(F)c(C(F)(F)F)c(F)c4)ccc3c2)c(F)c1
InChIInChI=1S/C27H19F7/c1-2-15-4-9-20(22(28)11-15)18-8-10-21-19(14-18)7-6-17(26(21)31)5-3-16-12-23(29)25(24(30)13-16)27(32,33)34/h4,6-14H,2-3,5H2,1H3
InChIKeyGKFUZSHOUHLMSM-UHFFFAOYSA-N
XLogP8.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.44
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-(4-butyl-2-fluorophenyl)-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139874635
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethoxy-2-fluorophenyl)-1-fluoronaphthalene
CID 139873269
6-(4-ethyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139873619
6-(2,6-difluoro-4-propylphenyl)-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139872854
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoro-6-[2-(4-propylphenyl)ethyl]naphthalene
CID 139872661
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-[2-(4-ethylphenyl)ethynyl]-1-fluoronaphthalene
CID 139850823
6-(4-but-3-enylphenyl)-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139873017
6-[2-(2,6-difluoro-4-propylphenyl)ethyl]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139874812
1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139875040
1-fluoro-6-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139871419
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoro-6-[2-(4-propylphenyl)ethynyl]naphthalene
CID 139850766
1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139873522

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethyl-2-fluorophenyl)-1-fluoronaphthalene?
The IUPAC name of 2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethyl-2-fluorophenyl)-1-fluoronaphthalene (CID 139874865) is 2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethyl-2-fluorophenyl)-1-fluoronaphthalene.
What is the SMILES notation for 2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethyl-2-fluorophenyl)-1-fluoronaphthalene?
The canonical SMILES for 2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethyl-2-fluorophenyl)-1-fluoronaphthalene is CCc1ccc(-c2ccc3c(F)c(CCc4cc(F)c(C(F)(F)F)c(F)c4)ccc3c2)c(F)c1.
What is the InChIKey of 2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethyl-2-fluorophenyl)-1-fluoronaphthalene?
The InChIKey is GKFUZSHOUHLMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F7/c1-2-15-4-9-20(22(28)11-15)18-8-10-21-19(14-18)7-6-17(26(21)31)5-3-16-12-23(29)25(24(30)13-16)27(32,33)34/h4,6-14H,2-3,5H2,1H3.
What are the key properties of 2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethyl-2-fluorophenyl)-1-fluoronaphthalene?
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethyl-2-fluorophenyl)-1-fluoronaphthalene has a molecular weight of 476.44 g/mol, XLogP of 8.43, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethyl-2-fluorophenyl)-1-fluoronaphthalene is sourced from PubChem (CID 139874865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).