2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine

C27H22F5NO2 — CID 139873105

IUPAC2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine
SMILESCOCCc1ccc(-c2ccc3c(F)c(CCc4ccc(OC(F)(F)F)c(F)c4)ccc3c2)nc1
InChIInChI=1S/C27H22F5NO2/c1-34-13-12-18-3-10-24(33-16-18)21-8-9-22-20(15-21)7-6-19(26(22)29)5-2-17-4-11-25(23(28)14-17)35-27(30,31)32/h3-4,6-11,14-16H,2,5,12-13H2,1H3
InChIKeyGCLCDXZNPDPJOC-UHFFFAOYSA-N
MW487.47 g/mol
LogP7.05
Rot. Bonds8

About 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine

2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine (PubChem CID 139873105) has the molecular formula C27H22F5NO2 and a molecular weight of 487.47 g/mol. Its IUPAC name is 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine.

Molecular Properties

Compound Name2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine
PubChem CID139873105
Molecular FormulaC27H22F5NO2
Molecular Weight487.47 g/mol
Exact Mass487.16
IUPAC Name2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine
SMILESCOCCc1ccc(-c2ccc3c(F)c(CCc4ccc(OC(F)(F)F)c(F)c4)ccc3c2)nc1
InChIInChI=1S/C27H22F5NO2/c1-34-13-12-18-3-10-24(33-16-18)21-8-9-22-20(15-21)7-6-19(26(22)29)5-2-17-4-11-25(23(28)14-17)35-27(30,31)32/h3-4,6-11,14-16H,2,5,12-13H2,1H3
InChIKeyGCLCDXZNPDPJOC-UHFFFAOYSA-N
XLogP7.05
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.47
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine?
The IUPAC name of 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine (CID 139873105) is 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine.
What is the SMILES notation for 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine?
The canonical SMILES for 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine is COCCc1ccc(-c2ccc3c(F)c(CCc4ccc(OC(F)(F)F)c(F)c4)ccc3c2)nc1.
What is the InChIKey of 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine?
The InChIKey is GCLCDXZNPDPJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F5NO2/c1-34-13-12-18-3-10-24(33-16-18)21-8-9-22-20(15-21)7-6-19(26(22)29)5-2-17-4-11-25(23(28)14-17)35-27(30,31)32/h3-4,6-11,14-16H,2,5,12-13H2,1H3.
What are the key properties of 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine?
2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine has a molecular weight of 487.47 g/mol, XLogP of 7.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine is sourced from PubChem (CID 139873105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).