1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane

C22H21F4N — CID 161091403

IUPAC1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane
SMILESC=C1C=CC(c2ccccc2)=C(c2c(F)cccc2F)N1CC(F)F.CC
InChIInChI=1S/C20H15F4N.C2H6/c1-13-10-11-15(14-6-3-2-4-7-14)20(25(13)12-18(23)24)19-16(21)8-5-9-17(19)22;1-2/h2-11,18H,1,12H2;1-2H3
InChIKeyUHFMYMYUKBKWFU-UHFFFAOYSA-N
MW375.41 g/mol
LogP6.51
Rot. Bonds4

About 1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane

1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane (PubChem CID 161091403) has the molecular formula C22H21F4N and a molecular weight of 375.41 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane
PubChem CID161091403
Molecular FormulaC22H21F4N
Molecular Weight375.41 g/mol
Exact Mass375.16
IUPAC Name1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane
SMILESC=C1C=CC(c2ccccc2)=C(c2c(F)cccc2F)N1CC(F)F.CC
InChIInChI=1S/C20H15F4N.C2H6/c1-13-10-11-15(14-6-3-2-4-7-14)20(25(13)12-18(23)24)19-16(21)8-5-9-17(19)22;1-2/h2-11,18H,1,12H2;1-2H3
InChIKeyUHFMYMYUKBKWFU-UHFFFAOYSA-N
XLogP6.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.41
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-difluoroethyl)-2-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methylidene-3-phenylpyridine;ethane
CID 159258863
2-(2-bromo-4,6-difluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine
CID 158261763
1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane
CID 157458491
2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine
CID 162039035
1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-methyl-6-methylidene-3-phenylpyridine;ethane
CID 162187456
2-(2-bromo-6-fluorophenyl)-1-methyl-6-methylidene-3-phenylpyridine;ethane
CID 162135829
2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane
CID 162109193
1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane
CID 158492269
5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane
CID 158999481
1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-5-fluoro-6-methylidene-3-phenylpyridine
CID 161274694
2-(3,5-difluoro-4-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine
CID 158332776
5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane
CID 160904167

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane?
The IUPAC name of 1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane (CID 161091403) is 1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane is C=C1C=CC(c2ccccc2)=C(c2c(F)cccc2F)N1CC(F)F.CC.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane?
The InChIKey is UHFMYMYUKBKWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N.C2H6/c1-13-10-11-15(14-6-3-2-4-7-14)20(25(13)12-18(23)24)19-16(21)8-5-9-17(19)22;1-2/h2-11,18H,1,12H2;1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane?
1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane has a molecular weight of 375.41 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane is sourced from PubChem (CID 161091403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).