2-[2-(4-chlorophenyl)ethyl]-6-[2-(4-ethoxyphenyl)ethyl]-1-fluoronaphthalene

C28H26ClFO — CID 139870838

IUPAC2-[2-(4-chlorophenyl)ethyl]-6-[2-(4-ethoxyphenyl)ethyl]-1-fluoronaphthalene
SMILESCCOc1ccc(CCc2ccc3c(F)c(CCc4ccc(Cl)cc4)ccc3c2)cc1
InChIInChI=1S/C28H26ClFO/c1-2-31-26-16-8-20(9-17-26)3-4-22-10-18-27-24(19-22)13-12-23(28(27)30)11-5-21-6-14-25(29)15-7-21/h6-10,12-19H,2-5,11H2,1H3
InChIKeyBNYUKQVMIGWIDA-UHFFFAOYSA-N
MW432.97 g/mol
LogP7.60
Rot. Bonds8

About 2-[2-(4-chlorophenyl)ethyl]-6-[2-(4-ethoxyphenyl)ethyl]-1-fluoronaphthalene

2-[2-(4-chlorophenyl)ethyl]-6-[2-(4-ethoxyphenyl)ethyl]-1-fluoronaphthalene (PubChem CID 139870838) has the molecular formula C28H26ClFO and a molecular weight of 432.97 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl]-6-[2-(4-ethoxyphenyl)ethyl]-1-fluoronaphthalene.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl]-6-[2-(4-ethoxyphenyl)ethyl]-1-fluoronaphthalene
PubChem CID139870838
Molecular FormulaC28H26ClFO
Molecular Weight432.97 g/mol
Exact Mass432.17
IUPAC Name2-[2-(4-chlorophenyl)ethyl]-6-[2-(4-ethoxyphenyl)ethyl]-1-fluoronaphthalene
SMILESCCOc1ccc(CCc2ccc3c(F)c(CCc4ccc(Cl)cc4)ccc3c2)cc1
InChIInChI=1S/C28H26ClFO/c1-2-31-26-16-8-20(9-17-26)3-4-22-10-18-27-24(19-22)13-12-23(28(27)30)11-5-21-6-14-25(29)15-7-21/h6-10,12-19H,2-5,11H2,1H3
InChIKeyBNYUKQVMIGWIDA-UHFFFAOYSA-N
XLogP7.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.97
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[2-(4-butoxyphenyl)ethyl]-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene
CID 139873179
6-[2-(4-butoxyphenyl)ethyl]-2-[2-(4-chloro-3,5-difluorophenyl)ethyl]-1-fluoronaphthalene
CID 139871856
2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-(2-fluoro-4-pentylphenyl)ethyl]naphthalene
CID 139874282
2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene
CID 139871149
2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-(4-pentoxyphenyl)naphthalene
CID 139874640
6-[2-(4-butoxyphenyl)ethyl]-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
CID 139871473
2-[2-(4-chloro-3-fluorophenyl)ethyl]-1-fluoro-6-[2-(4-prop-2-enoxyphenyl)ethyl]naphthalene
CID 139874997
4-[2-[6-[2-(4-ethoxy-2,6-difluorophenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]benzonitrile
CID 139872736
1-fluoro-6-[2-(4-propylphenyl)ethyl]-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139872367
2-[2-(4-chloro-3,5-difluorophenyl)ethyl]-1-fluoro-6-[2-(4-prop-2-enoxyphenyl)ethyl]naphthalene
CID 139874139
6-(4-ethoxyphenyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139875416
2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-[2-(4-ethoxy-2-fluorophenyl)ethyl]-1-fluoronaphthalene
CID 139871918

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-6-[2-(4-ethoxyphenyl)ethyl]-1-fluoronaphthalene?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-6-[2-(4-ethoxyphenyl)ethyl]-1-fluoronaphthalene (CID 139870838) is 2-[2-(4-chlorophenyl)ethyl]-6-[2-(4-ethoxyphenyl)ethyl]-1-fluoronaphthalene.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl]-6-[2-(4-ethoxyphenyl)ethyl]-1-fluoronaphthalene?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl]-6-[2-(4-ethoxyphenyl)ethyl]-1-fluoronaphthalene is CCOc1ccc(CCc2ccc3c(F)c(CCc4ccc(Cl)cc4)ccc3c2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl]-6-[2-(4-ethoxyphenyl)ethyl]-1-fluoronaphthalene?
The InChIKey is BNYUKQVMIGWIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClFO/c1-2-31-26-16-8-20(9-17-26)3-4-22-10-18-27-24(19-22)13-12-23(28(27)30)11-5-21-6-14-25(29)15-7-21/h6-10,12-19H,2-5,11H2,1H3.
What are the key properties of 2-[2-(4-chlorophenyl)ethyl]-6-[2-(4-ethoxyphenyl)ethyl]-1-fluoronaphthalene?
2-[2-(4-chlorophenyl)ethyl]-6-[2-(4-ethoxyphenyl)ethyl]-1-fluoronaphthalene has a molecular weight of 432.97 g/mol, XLogP of 7.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl]-6-[2-(4-ethoxyphenyl)ethyl]-1-fluoronaphthalene is sourced from PubChem (CID 139870838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).