5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine

C15H19F2N — CID 129083859

IUPAC5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
SMILESC=CC1=CC(C(F)F)=CN(/C(C)=C(\C)CC)C1=C
InChIInChI=1S/C15H19F2N/c1-6-10(3)11(4)18-9-14(15(16)17)8-13(7-2)12(18)5/h7-9,15H,2,5-6H2,1,3-4H3/b11-10+
InChIKeyBDGBJBOEIUCILI-ZHACJKMWSA-N
MW251.32 g/mol
LogP4.78
Rot. Bonds4

About 5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine

5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine (PubChem CID 129083859) has the molecular formula C15H19F2N and a molecular weight of 251.32 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine.

Molecular Properties

Compound Name5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
PubChem CID129083859
Molecular FormulaC15H19F2N
Molecular Weight251.32 g/mol
Exact Mass251.15
IUPAC Name5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
SMILESC=CC1=CC(C(F)F)=CN(/C(C)=C(\C)CC)C1=C
InChIInChI=1S/C15H19F2N/c1-6-10(3)11(4)18-9-14(15(16)17)8-13(7-2)12(18)5/h7-9,15H,2,5-6H2,1,3-4H3/b11-10+
InChIKeyBDGBJBOEIUCILI-ZHACJKMWSA-N
XLogP4.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine?
The IUPAC name of 5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine (CID 129083859) is 5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine.
What is the SMILES notation for 5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine?
The canonical SMILES for 5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine is C=CC1=CC(C(F)F)=CN(/C(C)=C(\C)CC)C1=C.
What is the InChIKey of 5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine?
The InChIKey is BDGBJBOEIUCILI-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H19F2N/c1-6-10(3)11(4)18-9-14(15(16)17)8-13(7-2)12(18)5/h7-9,15H,2,5-6H2,1,3-4H3/b11-10+.
What are the key properties of 5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine?
5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine has a molecular weight of 251.32 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine is sourced from PubChem (CID 129083859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).