6-(4-ethoxyphenyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene

C27H22F4O — CID 139875416

IUPAC6-(4-ethoxyphenyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
SMILESCCOc1ccc(-c2ccc3c(F)c(CCc4ccc(C(F)(F)F)cc4)ccc3c2)cc1
InChIInChI=1S/C27H22F4O/c1-2-32-24-14-9-19(10-15-24)21-11-16-25-22(17-21)8-7-20(26(25)28)6-3-18-4-12-23(13-5-18)27(29,30)31/h4-5,7-17H,2-3,6H2,1H3
InChIKeyUQXKOZGLNPXOCC-UHFFFAOYSA-N
MW438.46 g/mol
LogP7.85
Rot. Bonds6

About 6-(4-ethoxyphenyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene

6-(4-ethoxyphenyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene (PubChem CID 139875416) has the molecular formula C27H22F4O and a molecular weight of 438.46 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
PubChem CID139875416
Molecular FormulaC27H22F4O
Molecular Weight438.46 g/mol
Exact Mass438.16
IUPAC Name6-(4-ethoxyphenyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
SMILESCCOc1ccc(-c2ccc3c(F)c(CCc4ccc(C(F)(F)F)cc4)ccc3c2)cc1
InChIInChI=1S/C27H22F4O/c1-2-32-24-14-9-19(10-15-24)21-11-16-25-22(17-21)8-7-20(26(25)28)6-3-18-4-12-23(13-5-18)27(29,30)31/h4-5,7-17H,2-3,6H2,1H3
InChIKeyUQXKOZGLNPXOCC-UHFFFAOYSA-N
XLogP7.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.46
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-6-(4-pentoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139874209
1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139873693
1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139873011
6-(4-ethoxyphenyl)-1-fluoro-2-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139875219
1-fluoro-6-(4-heptylphenyl)-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139874489
1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139871177
1-fluoro-6-(4-pentoxyphenyl)-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139873720
6-[2-(4-butoxy-2-fluorophenyl)ethyl]-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139875658
2-[2-(4-chlorophenyl)ethyl]-6-[2-(4-ethoxyphenyl)ethyl]-1-fluoronaphthalene
CID 139870838
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethoxy-2-fluorophenyl)-1-fluoronaphthalene
CID 139873269
2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-(4-pentoxyphenyl)naphthalene
CID 139874640
1-fluoro-6-[2-(4-propylphenyl)ethyl]-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139872367

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene?
The IUPAC name of 6-(4-ethoxyphenyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene (CID 139875416) is 6-(4-ethoxyphenyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene.
What is the SMILES notation for 6-(4-ethoxyphenyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene?
The canonical SMILES for 6-(4-ethoxyphenyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene is CCOc1ccc(-c2ccc3c(F)c(CCc4ccc(C(F)(F)F)cc4)ccc3c2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene?
The InChIKey is UQXKOZGLNPXOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F4O/c1-2-32-24-14-9-19(10-15-24)21-11-16-25-22(17-21)8-7-20(26(25)28)6-3-18-4-12-23(13-5-18)27(29,30)31/h4-5,7-17H,2-3,6H2,1H3.
What are the key properties of 6-(4-ethoxyphenyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene?
6-(4-ethoxyphenyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene has a molecular weight of 438.46 g/mol, XLogP of 7.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene is sourced from PubChem (CID 139875416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).