2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-methylpyridine

C36H15F12NO — CID 138468150

IUPAC2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-methylpyridine
SMILESCc1ccc(-c2ccc3c(F)c(-c4cc(F)c(C(F)(F)Oc5cc(F)c6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)c4)c(F)cc3c2)nc1
InChIInChI=1S/C36H15F12NO/c1-16-2-5-29(49-15-16)17-3-4-22-18(8-17)10-25(38)31(33(22)42)20-12-27(40)32(28(41)13-20)36(47,48)50-21-9-19-11-24(37)23(6-7-35(44,45)46)34(43)30(19)26(39)14-21/h2-5,8-15H,1H3
InChIKeyQULVVWBBVIVQRV-UHFFFAOYSA-N
MW705.50 g/mol
LogP11.05
Rot. Bonds5

About 2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-methylpyridine

2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-methylpyridine (PubChem CID 138468150) has the molecular formula C36H15F12NO and a molecular weight of 705.50 g/mol. Its IUPAC name is 2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-methylpyridine.

Molecular Properties

Compound Name2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-methylpyridine
PubChem CID138468150
Molecular FormulaC36H15F12NO
Molecular Weight705.50 g/mol
Exact Mass705.10
IUPAC Name2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-methylpyridine
SMILESCc1ccc(-c2ccc3c(F)c(-c4cc(F)c(C(F)(F)Oc5cc(F)c6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)c4)c(F)cc3c2)nc1
InChIInChI=1S/C36H15F12NO/c1-16-2-5-29(49-15-16)17-3-4-22-18(8-17)10-25(38)31(33(22)42)20-12-27(40)32(28(41)13-20)36(47,48)50-21-9-19-11-24(37)23(6-7-35(44,45)46)34(43)30(19)26(39)14-21/h2-5,8-15H,1H3
InChIKeyQULVVWBBVIVQRV-UHFFFAOYSA-N
XLogP11.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.50
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-methylpyridine?
The IUPAC name of 2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-methylpyridine (CID 138468150) is 2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-methylpyridine.
What is the SMILES notation for 2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-methylpyridine?
The canonical SMILES for 2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-methylpyridine is Cc1ccc(-c2ccc3c(F)c(-c4cc(F)c(C(F)(F)Oc5cc(F)c6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)c4)c(F)cc3c2)nc1.
What is the InChIKey of 2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-methylpyridine?
The InChIKey is QULVVWBBVIVQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H15F12NO/c1-16-2-5-29(49-15-16)17-3-4-22-18(8-17)10-25(38)31(33(22)42)20-12-27(40)32(28(41)13-20)36(47,48)50-21-9-19-11-24(37)23(6-7-35(44,45)46)34(43)30(19)26(39)14-21/h2-5,8-15H,1H3.
What are the key properties of 2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-methylpyridine?
2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-methylpyridine has a molecular weight of 705.50 g/mol, XLogP of 11.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-methylpyridine is sourced from PubChem (CID 138468150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).