(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine

C10H12FN — CID 90447928

IUPAC(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
SMILESC/C=c1/nccc/c1=C(\F)CC
InChIInChI=1S/C10H12FN/c1-3-9(11)8-6-5-7-12-10(8)4-2/h4-7H,3H2,1-2H3/b9-8+,10-4+
InChIKeyKZQYUHRERVFXHL-FJEDVWLASA-N
MW165.21 g/mol
LogP1.37
Rot. Bonds1

About (2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine

(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine (PubChem CID 90447928) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is (2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine.

Molecular Properties

Compound Name(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
PubChem CID90447928
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
SMILESC/C=c1/nccc/c1=C(\F)CC
InChIInChI=1S/C10H12FN/c1-3-9(11)8-6-5-7-12-10(8)4-2/h4-7H,3H2,1-2H3/b9-8+,10-4+
InChIKeyKZQYUHRERVFXHL-FJEDVWLASA-N
XLogP1.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine?
The IUPAC name of (2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine (CID 90447928) is (2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine.
What is the SMILES notation for (2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine?
The canonical SMILES for (2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine is C/C=c1/nccc/c1=C(\F)CC.
What is the InChIKey of (2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine?
The InChIKey is KZQYUHRERVFXHL-FJEDVWLASA-N. The full InChI is InChI=1S/C10H12FN/c1-3-9(11)8-6-5-7-12-10(8)4-2/h4-7H,3H2,1-2H3/b9-8+,10-4+.
What are the key properties of (2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine?
(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine has a molecular weight of 165.21 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine is sourced from PubChem (CID 90447928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).