2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine

C29H26F5NO2 — CID 139875034

IUPAC2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine
SMILESCOCCc1ccc(CCc2ccc3c(F)c(CCc4cc(F)c(OC(F)F)c(F)c4)ccc3c2)nc1
InChIInChI=1S/C29H26F5NO2/c1-36-13-12-19-4-10-23(35-17-19)9-3-18-5-11-24-22(14-18)8-7-21(27(24)32)6-2-20-15-25(30)28(26(31)16-20)37-29(33)34/h4-5,7-8,10-11,14-17,29H,2-3,6,9,12-13H2,1H3
InChIKeyGHKJKFIKNIWIAJ-UHFFFAOYSA-N
MW515.52 g/mol
LogP7.01
Rot. Bonds11

About 2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine

2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine (PubChem CID 139875034) has the molecular formula C29H26F5NO2 and a molecular weight of 515.52 g/mol. Its IUPAC name is 2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine.

Molecular Properties

Compound Name2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine
PubChem CID139875034
Molecular FormulaC29H26F5NO2
Molecular Weight515.52 g/mol
Exact Mass515.19
IUPAC Name2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine
SMILESCOCCc1ccc(CCc2ccc3c(F)c(CCc4cc(F)c(OC(F)F)c(F)c4)ccc3c2)nc1
InChIInChI=1S/C29H26F5NO2/c1-36-13-12-19-4-10-23(35-17-19)9-3-18-5-11-24-22(14-18)8-7-21(27(24)32)6-2-20-15-25(30)28(26(31)16-20)37-29(33)34/h4-5,7-8,10-11,14-17,29H,2-3,6,9,12-13H2,1H3
InChIKeyGHKJKFIKNIWIAJ-UHFFFAOYSA-N
XLogP7.01
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.52
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-but-3-enyl-2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]pyridine
CID 139871450
2-[2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine
CID 139873297
2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine
CID 139873968
2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(3-methoxypropyl)pyridine
CID 139871445
2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(methoxymethyl)pyrimidine
CID 139871217
2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(3-methoxypropyl)phenyl]ethyl]naphthalene
CID 139870781
2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyridine
CID 139871614
6-[2-(4-butoxyphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-1-fluoronaphthalene
CID 139873719
2-[2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-(3-methoxypropyl)pyridine
CID 139875487
2-[2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyridine
CID 139873534
4-[2-[1-fluoro-6-[2-[5-(3-methoxypropyl)-2-pyridinyl]ethyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139870733
2-[2-[6-[2-(4-chloro-3,5-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyridine
CID 139872731

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine?
The IUPAC name of 2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine (CID 139875034) is 2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine.
What is the SMILES notation for 2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine?
The canonical SMILES for 2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine is COCCc1ccc(CCc2ccc3c(F)c(CCc4cc(F)c(OC(F)F)c(F)c4)ccc3c2)nc1.
What is the InChIKey of 2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine?
The InChIKey is GHKJKFIKNIWIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F5NO2/c1-36-13-12-19-4-10-23(35-17-19)9-3-18-5-11-24-22(14-18)8-7-21(27(24)32)6-2-20-15-25(30)28(26(31)16-20)37-29(33)34/h4-5,7-8,10-11,14-17,29H,2-3,6,9,12-13H2,1H3.
What are the key properties of 2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine?
2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine has a molecular weight of 515.52 g/mol, XLogP of 7.01, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine is sourced from PubChem (CID 139875034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).