(3Z)-3-[1-(2,2-difluoroethyl)-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine

C11H13F2N3 — CID 166970745

IUPAC(3Z)-3-[1-(2,2-difluoroethyl)-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine
SMILESC=N/C(C(=C)N)=C1/C=CC=CN1CC(F)F
InChIInChI=1S/C11H13F2N3/c1-8(14)11(15-2)9-5-3-4-6-16(9)7-10(12)13/h3-6,10H,1-2,7,14H2/b11-9-
InChIKeyTZVLQUYRPVUSCZ-LUAWRHEFSA-N
MW225.24 g/mol
LogP2.02
Rot. Bonds4

About (3Z)-3-[1-(2,2-difluoroethyl)-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine

(3Z)-3-[1-(2,2-difluoroethyl)-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine (PubChem CID 166970745) has the molecular formula C11H13F2N3 and a molecular weight of 225.24 g/mol. Its IUPAC name is (3Z)-3-[1-(2,2-difluoroethyl)-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine.

Molecular Properties

Compound Name(3Z)-3-[1-(2,2-difluoroethyl)-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine
PubChem CID166970745
Molecular FormulaC11H13F2N3
Molecular Weight225.24 g/mol
Exact Mass225.11
IUPAC Name(3Z)-3-[1-(2,2-difluoroethyl)-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine
SMILESC=N/C(C(=C)N)=C1/C=CC=CN1CC(F)F
InChIInChI=1S/C11H13F2N3/c1-8(14)11(15-2)9-5-3-4-6-16(9)7-10(12)13/h3-6,10H,1-2,7,14H2/b11-9-
InChIKeyTZVLQUYRPVUSCZ-LUAWRHEFSA-N
XLogP2.02
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[1-(2,2-difluoroethyl)-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine?
The IUPAC name of (3Z)-3-[1-(2,2-difluoroethyl)-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine (CID 166970745) is (3Z)-3-[1-(2,2-difluoroethyl)-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine.
What is the SMILES notation for (3Z)-3-[1-(2,2-difluoroethyl)-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine?
The canonical SMILES for (3Z)-3-[1-(2,2-difluoroethyl)-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine is C=N/C(C(=C)N)=C1/C=CC=CN1CC(F)F.
What is the InChIKey of (3Z)-3-[1-(2,2-difluoroethyl)-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine?
The InChIKey is TZVLQUYRPVUSCZ-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H13F2N3/c1-8(14)11(15-2)9-5-3-4-6-16(9)7-10(12)13/h3-6,10H,1-2,7,14H2/b11-9-.
What are the key properties of (3Z)-3-[1-(2,2-difluoroethyl)-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine?
(3Z)-3-[1-(2,2-difluoroethyl)-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine has a molecular weight of 225.24 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[1-(2,2-difluoroethyl)-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine is sourced from PubChem (CID 166970745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).