2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene

C28H25ClF2O — CID 139871149

IUPAC2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene
SMILESCOCc1ccc(CCc2ccc3c(F)c(CCc4ccc(Cl)cc4)ccc3c2)c(F)c1
InChIInChI=1S/C28H25ClF2O/c1-32-18-21-4-9-22(27(30)17-21)8-3-20-7-15-26-24(16-20)12-11-23(28(26)31)10-2-19-5-13-25(29)14-6-19/h4-7,9,11-17H,2-3,8,10,18H2,1H3
InChIKeyIPCPEDRUZDYTMN-UHFFFAOYSA-N
MW450.96 g/mol
LogP7.49
Rot. Bonds8

About 2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene

2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene (PubChem CID 139871149) has the molecular formula C28H25ClF2O and a molecular weight of 450.96 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene
PubChem CID139871149
Molecular FormulaC28H25ClF2O
Molecular Weight450.96 g/mol
Exact Mass450.16
IUPAC Name2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene
SMILESCOCc1ccc(CCc2ccc3c(F)c(CCc4ccc(Cl)cc4)ccc3c2)c(F)c1
InChIInChI=1S/C28H25ClF2O/c1-32-18-21-4-9-22(27(30)17-21)8-3-20-7-15-26-24(16-20)12-11-23(28(26)31)10-2-19-5-13-25(29)14-6-19/h4-7,9,11-17H,2-3,8,10,18H2,1H3
InChIKeyIPCPEDRUZDYTMN-UHFFFAOYSA-N
XLogP7.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.96
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene
CID 139871216
4-[2-[1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139872701
2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-(2-fluoro-4-pentylphenyl)ethyl]naphthalene
CID 139874282
2-[2-(4-chlorophenyl)ethyl]-6-[2-(4-ethoxyphenyl)ethyl]-1-fluoronaphthalene
CID 139870838
6-[2-(4-but-3-enyl-2-fluorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethyl]-1-fluoronaphthalene
CID 139872248
2-[2-(4-chloro-3-fluorophenyl)ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene
CID 139875278
2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyrimidine
CID 139875026
2,6-difluoro-4-[2-[1-fluoro-6-[2-[2-fluoro-4-(2-methoxyethyl)phenyl]ethyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139873668
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-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine
CID 139872276
1-fluoro-6-[2-(2-fluoro-4-pentylphenyl)ethyl]-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139874274

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene (CID 139871149) is 2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene is COCc1ccc(CCc2ccc3c(F)c(CCc4ccc(Cl)cc4)ccc3c2)c(F)c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene?
The InChIKey is IPCPEDRUZDYTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClF2O/c1-32-18-21-4-9-22(27(30)17-21)8-3-20-7-15-26-24(16-20)12-11-23(28(26)31)10-2-19-5-13-25(29)14-6-19/h4-7,9,11-17H,2-3,8,10,18H2,1H3.
What are the key properties of 2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene?
2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene has a molecular weight of 450.96 g/mol, XLogP of 7.49, 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]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene is sourced from PubChem (CID 139871149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).