1-(2,2-difluoroethyl)-6-(3,5-difluorophenyl)-3-methyl-2-methylidenepyridine

C15H13F4N — CID 157237767

IUPAC1-(2,2-difluoroethyl)-6-(3,5-difluorophenyl)-3-methyl-2-methylidenepyridine
SMILESC=C1C(C)=CC=C(c2cc(F)cc(F)c2)N1CC(F)F
InChIInChI=1S/C15H13F4N/c1-9-3-4-14(20(10(9)2)8-15(18)19)11-5-12(16)7-13(17)6-11/h3-7,15H,2,8H2,1H3
InChIKeyVNVKAVDZGAMGPJ-UHFFFAOYSA-N
MW283.27 g/mol
LogP4.35
Rot. Bonds3

About 1-(2,2-difluoroethyl)-6-(3,5-difluorophenyl)-3-methyl-2-methylidenepyridine

1-(2,2-difluoroethyl)-6-(3,5-difluorophenyl)-3-methyl-2-methylidenepyridine (PubChem CID 157237767) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-(3,5-difluorophenyl)-3-methyl-2-methylidenepyridine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-(3,5-difluorophenyl)-3-methyl-2-methylidenepyridine
PubChem CID157237767
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name1-(2,2-difluoroethyl)-6-(3,5-difluorophenyl)-3-methyl-2-methylidenepyridine
SMILESC=C1C(C)=CC=C(c2cc(F)cc(F)c2)N1CC(F)F
InChIInChI=1S/C15H13F4N/c1-9-3-4-14(20(10(9)2)8-15(18)19)11-5-12(16)7-13(17)6-11/h3-7,15H,2,8H2,1H3
InChIKeyVNVKAVDZGAMGPJ-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-6-(3,5-difluorophenyl)-3-methyl-2-methylidenepyridine?
The IUPAC name of 1-(2,2-difluoroethyl)-6-(3,5-difluorophenyl)-3-methyl-2-methylidenepyridine (CID 157237767) is 1-(2,2-difluoroethyl)-6-(3,5-difluorophenyl)-3-methyl-2-methylidenepyridine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-(3,5-difluorophenyl)-3-methyl-2-methylidenepyridine?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-(3,5-difluorophenyl)-3-methyl-2-methylidenepyridine is C=C1C(C)=CC=C(c2cc(F)cc(F)c2)N1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-6-(3,5-difluorophenyl)-3-methyl-2-methylidenepyridine?
The InChIKey is VNVKAVDZGAMGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c1-9-3-4-14(20(10(9)2)8-15(18)19)11-5-12(16)7-13(17)6-11/h3-7,15H,2,8H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-6-(3,5-difluorophenyl)-3-methyl-2-methylidenepyridine?
1-(2,2-difluoroethyl)-6-(3,5-difluorophenyl)-3-methyl-2-methylidenepyridine has a molecular weight of 283.27 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-6-(3,5-difluorophenyl)-3-methyl-2-methylidenepyridine is sourced from PubChem (CID 157237767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).