6-(4-ethyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene

C27H21F5O — CID 139873619

IUPAC6-(4-ethyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
SMILESCCc1ccc(-c2ccc3c(F)c(CCc4ccc(OC(F)(F)F)cc4)ccc3c2)c(F)c1
InChIInChI=1S/C27H21F5O/c1-2-17-6-13-23(25(28)15-17)20-10-14-24-21(16-20)9-8-19(26(24)29)7-3-18-4-11-22(12-5-18)33-27(30,31)32/h4-6,8-16H,2-3,7H2,1H3
InChIKeySDGMKOUTTPNADI-UHFFFAOYSA-N
MW456.45 g/mol
LogP8.03
Rot. Bonds6

About 6-(4-ethyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene

6-(4-ethyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene (PubChem CID 139873619) has the molecular formula C27H21F5O and a molecular weight of 456.45 g/mol. Its IUPAC name is 6-(4-ethyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene.

Molecular Properties

Compound Name6-(4-ethyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
PubChem CID139873619
Molecular FormulaC27H21F5O
Molecular Weight456.45 g/mol
Exact Mass456.15
IUPAC Name6-(4-ethyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
SMILESCCc1ccc(-c2ccc3c(F)c(CCc4ccc(OC(F)(F)F)cc4)ccc3c2)c(F)c1
InChIInChI=1S/C27H21F5O/c1-2-17-6-13-23(25(28)15-17)20-10-14-24-21(16-20)9-8-19(26(24)29)7-3-18-4-11-22(12-5-18)33-27(30,31)32/h4-6,8-16H,2-3,7H2,1H3
InChIKeySDGMKOUTTPNADI-UHFFFAOYSA-N
XLogP8.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.45
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139875040
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethyl-2-fluorophenyl)-1-fluoronaphthalene
CID 139874865
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-6-(4-ethoxy-2-fluorophenyl)-1-fluoronaphthalene
CID 139873746
6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139870715
1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139873522
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethoxy-2-fluorophenyl)-1-fluoronaphthalene
CID 139873269
1-fluoro-6-(4-pentoxyphenyl)-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139873720
6-(4-but-3-enyl-2,6-difluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139875498
6-[2-(2,6-difluoro-4-hexylphenyl)ethyl]-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139871047
6-(4-butyl-2-fluorophenyl)-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139874635
2-[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine
CID 139875640
6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139872752

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene?
The IUPAC name of 6-(4-ethyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene (CID 139873619) is 6-(4-ethyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene.
What is the SMILES notation for 6-(4-ethyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene?
The canonical SMILES for 6-(4-ethyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene is CCc1ccc(-c2ccc3c(F)c(CCc4ccc(OC(F)(F)F)cc4)ccc3c2)c(F)c1.
What is the InChIKey of 6-(4-ethyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene?
The InChIKey is SDGMKOUTTPNADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F5O/c1-2-17-6-13-23(25(28)15-17)20-10-14-24-21(16-20)9-8-19(26(24)29)7-3-18-4-11-22(12-5-18)33-27(30,31)32/h4-6,8-16H,2-3,7H2,1H3.
What are the key properties of 6-(4-ethyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene?
6-(4-ethyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene has a molecular weight of 456.45 g/mol, XLogP of 8.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene is sourced from PubChem (CID 139873619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).