(2E)-1-[(E)-3,3-difluoro-2-methylprop-1-enyl]-2-ethylidene-3-methoxy-5-methylpyridine

C13H17F2NO — CID 164910600

IUPAC(2E)-1-[(E)-3,3-difluoro-2-methylprop-1-enyl]-2-ethylidene-3-methoxy-5-methylpyridine
SMILESC/C=C1\C(OC)=CC(C)=CN1/C=C(\C)C(F)F
InChIInChI=1S/C13H17F2NO/c1-5-11-12(17-4)6-9(2)7-16(11)8-10(3)13(14)15/h5-8,13H,1-4H3/b10-8+,11-5+
InChIKeyHFTYFPCZIVITNH-BSJVZVMRSA-N
MW241.28 g/mol
LogP3.81
Rot. Bonds3

About (2E)-1-[(E)-3,3-difluoro-2-methylprop-1-enyl]-2-ethylidene-3-methoxy-5-methylpyridine

(2E)-1-[(E)-3,3-difluoro-2-methylprop-1-enyl]-2-ethylidene-3-methoxy-5-methylpyridine (PubChem CID 164910600) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is (2E)-1-[(E)-3,3-difluoro-2-methylprop-1-enyl]-2-ethylidene-3-methoxy-5-methylpyridine.

Molecular Properties

Compound Name(2E)-1-[(E)-3,3-difluoro-2-methylprop-1-enyl]-2-ethylidene-3-methoxy-5-methylpyridine
PubChem CID164910600
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name(2E)-1-[(E)-3,3-difluoro-2-methylprop-1-enyl]-2-ethylidene-3-methoxy-5-methylpyridine
SMILESC/C=C1\C(OC)=CC(C)=CN1/C=C(\C)C(F)F
InChIInChI=1S/C13H17F2NO/c1-5-11-12(17-4)6-9(2)7-16(11)8-10(3)13(14)15/h5-8,13H,1-4H3/b10-8+,11-5+
InChIKeyHFTYFPCZIVITNH-BSJVZVMRSA-N
XLogP3.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-[(E)-3,3-difluoro-2-methylprop-1-enyl]-2-ethylidene-3-methoxy-5-methylpyridine?
The IUPAC name of (2E)-1-[(E)-3,3-difluoro-2-methylprop-1-enyl]-2-ethylidene-3-methoxy-5-methylpyridine (CID 164910600) is (2E)-1-[(E)-3,3-difluoro-2-methylprop-1-enyl]-2-ethylidene-3-methoxy-5-methylpyridine.
What is the SMILES notation for (2E)-1-[(E)-3,3-difluoro-2-methylprop-1-enyl]-2-ethylidene-3-methoxy-5-methylpyridine?
The canonical SMILES for (2E)-1-[(E)-3,3-difluoro-2-methylprop-1-enyl]-2-ethylidene-3-methoxy-5-methylpyridine is C/C=C1\C(OC)=CC(C)=CN1/C=C(\C)C(F)F.
What is the InChIKey of (2E)-1-[(E)-3,3-difluoro-2-methylprop-1-enyl]-2-ethylidene-3-methoxy-5-methylpyridine?
The InChIKey is HFTYFPCZIVITNH-BSJVZVMRSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-5-11-12(17-4)6-9(2)7-16(11)8-10(3)13(14)15/h5-8,13H,1-4H3/b10-8+,11-5+.
What are the key properties of (2E)-1-[(E)-3,3-difluoro-2-methylprop-1-enyl]-2-ethylidene-3-methoxy-5-methylpyridine?
(2E)-1-[(E)-3,3-difluoro-2-methylprop-1-enyl]-2-ethylidene-3-methoxy-5-methylpyridine has a molecular weight of 241.28 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-[(E)-3,3-difluoro-2-methylprop-1-enyl]-2-ethylidene-3-methoxy-5-methylpyridine is sourced from PubChem (CID 164910600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).