2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane

C23H23F4NO — CID 162109193

IUPAC2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane
SMILESC=C1C=CC(c2ccccc2)=C(c2c(F)cc(OCC(F)F)cc2F)N1C.CC
InChIInChI=1S/C21H17F4NO.C2H6/c1-13-8-9-16(14-6-4-3-5-7-14)21(26(13)2)20-17(22)10-15(11-18(20)23)27-12-19(24)25;1-2/h3-11,19H,1,12H2,2H3;1-2H3
InChIKeyZFXPTFRYZRNMGS-UHFFFAOYSA-N
MW405.44 g/mol
LogP6.52
Rot. Bonds5

About 2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane

2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane (PubChem CID 162109193) has the molecular formula C23H23F4NO and a molecular weight of 405.44 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane
PubChem CID162109193
Molecular FormulaC23H23F4NO
Molecular Weight405.44 g/mol
Exact Mass405.17
IUPAC Name2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane
SMILESC=C1C=CC(c2ccccc2)=C(c2c(F)cc(OCC(F)F)cc2F)N1C.CC
InChIInChI=1S/C21H17F4NO.C2H6/c1-13-8-9-16(14-6-4-3-5-7-14)21(26(13)2)20-17(22)10-15(11-18(20)23)27-12-19(24)25;1-2/h3-11,19H,1,12H2,2H3;1-2H3
InChIKeyZFXPTFRYZRNMGS-UHFFFAOYSA-N
XLogP6.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.44
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-5-iodo-1-methyl-6-methylidene-3-phenylpyridine
CID 161271844
1-(2,2-difluoroethyl)-2-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methylidene-3-phenylpyridine;ethane
CID 159258863
5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane
CID 160904167
2-(3,5-difluoro-4-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine
CID 158332776
5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine
CID 158766166
1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane
CID 161091403
2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine
CID 162039035
6-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-3-iodo-2-methylidene-5-phenyl-3,4-dihydro-1H-pyridine;ethane
CID 159605104
5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane
CID 158999481
5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 158063386
1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-5-fluoro-6-methylidene-3-phenylpyridine
CID 161274694
2-(4-chloro-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine
CID 158300340

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane?
The IUPAC name of 2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane (CID 162109193) is 2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane.
What is the SMILES notation for 2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane?
The canonical SMILES for 2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane is C=C1C=CC(c2ccccc2)=C(c2c(F)cc(OCC(F)F)cc2F)N1C.CC.
What is the InChIKey of 2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane?
The InChIKey is ZFXPTFRYZRNMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4NO.C2H6/c1-13-8-9-16(14-6-4-3-5-7-14)21(26(13)2)20-17(22)10-15(11-18(20)23)27-12-19(24)25;1-2/h3-11,19H,1,12H2,2H3;1-2H3.
What are the key properties of 2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane?
2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane has a molecular weight of 405.44 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane is sourced from PubChem (CID 162109193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).