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

C28H23F5O2 — CID 139875040

IUPAC1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
SMILESCOCCc1ccc(-c2ccc3c(F)c(CCc4ccc(OC(F)(F)F)cc4)ccc3c2)c(F)c1
InChIInChI=1S/C28H23F5O2/c1-34-15-14-19-5-12-24(26(29)16-19)21-9-13-25-22(17-21)8-7-20(27(25)30)6-2-18-3-10-23(11-4-18)35-28(31,32)33/h3-5,7-13,16-17H,2,6,14-15H2,1H3
InChIKeyNRRKANNGEZCSDB-UHFFFAOYSA-N
MW486.48 g/mol
LogP7.66
Rot. Bonds8

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

1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene (PubChem CID 139875040) has the molecular formula C28H23F5O2 and a molecular weight of 486.48 g/mol. Its IUPAC name is 1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
PubChem CID139875040
Molecular FormulaC28H23F5O2
Molecular Weight486.48 g/mol
Exact Mass486.16
IUPAC Name1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
SMILESCOCCc1ccc(-c2ccc3c(F)c(CCc4ccc(OC(F)(F)F)cc4)ccc3c2)c(F)c1
InChIInChI=1S/C28H23F5O2/c1-34-15-14-19-5-12-24(26(29)16-19)21-9-13-25-22(17-21)8-7-20(27(25)30)6-2-18-3-10-23(11-4-18)35-28(31,32)33/h3-5,7-13,16-17H,2,6,14-15H2,1H3
InChIKeyNRRKANNGEZCSDB-UHFFFAOYSA-N
XLogP7.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.48
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-ethyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139873619
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-(trifluoromethoxy)phenyl]ethyl]-6-(4-ethoxy-2-fluorophenyl)-1-fluoronaphthalene
CID 139873746
6-[2,6-difluoro-4-(2-methoxyethyl)phenyl]-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139875685
6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139870715
2-[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine
CID 139875640
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethyl-2-fluorophenyl)-1-fluoronaphthalene
CID 139874865
1-fluoro-6-(4-pentoxyphenyl)-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139873720
2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine
CID 139873105
6-(4-but-3-enyl-2,6-difluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139875498
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene
CID 139874733
6-[2-(2,6-difluoro-4-hexylphenyl)ethyl]-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139871047

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene?
The IUPAC name of 1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene (CID 139875040) is 1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene.
What is the SMILES notation for 1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene?
The canonical SMILES for 1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene is COCCc1ccc(-c2ccc3c(F)c(CCc4ccc(OC(F)(F)F)cc4)ccc3c2)c(F)c1.
What is the InChIKey of 1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene?
The InChIKey is NRRKANNGEZCSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F5O2/c1-34-15-14-19-5-12-24(26(29)16-19)21-9-13-25-22(17-21)8-7-20(27(25)30)6-2-18-3-10-23(11-4-18)35-28(31,32)33/h3-5,7-13,16-17H,2,6,14-15H2,1H3.
What are the key properties of 1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene?
1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene has a molecular weight of 486.48 g/mol, XLogP of 7.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene is sourced from PubChem (CID 139875040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).