2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine

C26H19F6NO — CID 139872707

IUPAC2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine
SMILESCOCc1ccc(-c2ccc3c(F)c(CCc4cc(F)c(C(F)(F)F)c(F)c4)ccc3c2)nc1
InChIInChI=1S/C26H19F6NO/c1-34-14-16-3-9-23(33-13-16)19-7-8-20-18(12-19)6-5-17(25(20)29)4-2-15-10-21(27)24(22(28)11-15)26(30,31)32/h3,5-13H,2,4,14H2,1H3
InChIKeyHKYVKSXPUFCXED-UHFFFAOYSA-N
MW475.43 g/mol
LogP7.27
Rot. Bonds6

About 2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine

2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine (PubChem CID 139872707) has the molecular formula C26H19F6NO and a molecular weight of 475.43 g/mol. Its IUPAC name is 2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine.

Molecular Properties

Compound Name2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine
PubChem CID139872707
Molecular FormulaC26H19F6NO
Molecular Weight475.43 g/mol
Exact Mass475.14
IUPAC Name2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine
SMILESCOCc1ccc(-c2ccc3c(F)c(CCc4cc(F)c(C(F)(F)F)c(F)c4)ccc3c2)nc1
InChIInChI=1S/C26H19F6NO/c1-34-14-16-3-9-23(33-13-16)19-7-8-20-18(12-19)6-5-17(25(20)29)4-2-15-10-21(27)24(22(28)11-15)26(30,31)32/h3,5-13H,2,4,14H2,1H3
InChIKeyHKYVKSXPUFCXED-UHFFFAOYSA-N
XLogP7.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.43
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine
CID 139872276
2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine
CID 139870968
2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethylpyridine
CID 139874423
2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine
CID 139874222
2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine
CID 139873105
5-ethyl-2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]pyridine
CID 139872895
2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine
CID 139873968
2-[2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(methoxymethyl)pyridine
CID 139871801
2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(3-methoxypropyl)pyridine
CID 139872748
2-[6-[2-(4-chloro-3,5-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-propylpyridine
CID 139872572
2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]-5-heptylpyridine
CID 139874836
5-butoxy-2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]pyridine
CID 139872384

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine?
The IUPAC name of 2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine (CID 139872707) is 2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine.
What is the SMILES notation for 2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine?
The canonical SMILES for 2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine is COCc1ccc(-c2ccc3c(F)c(CCc4cc(F)c(C(F)(F)F)c(F)c4)ccc3c2)nc1.
What is the InChIKey of 2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine?
The InChIKey is HKYVKSXPUFCXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F6NO/c1-34-14-16-3-9-23(33-13-16)19-7-8-20-18(12-19)6-5-17(25(20)29)4-2-15-10-21(27)24(22(28)11-15)26(30,31)32/h3,5-13H,2,4,14H2,1H3.
What are the key properties of 2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine?
2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine has a molecular weight of 475.43 g/mol, XLogP of 7.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine is sourced from PubChem (CID 139872707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).