1-[(2Z)-2-ethylidene-3-fluoro-4-methylpent-3-enyl]-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazine

C17H25FN2 — CID 166907430

IUPAC1-[(2Z)-2-ethylidene-3-fluoro-4-methylpent-3-enyl]-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazine
SMILESC=C(C)C1=CCN(C)N(C/C(=C/C)C(F)=C(C)C)C1=C
InChIInChI=1S/C17H25FN2/c1-8-15(17(18)13(4)5)11-20-14(6)16(12(2)3)9-10-19(20)7/h8-9H,2,6,10-11H2,1,3-5,7H3/b15-8-
InChIKeyPRMZYPVUMFFADZ-NVNXTCNLSA-N
MW276.40 g/mol
LogP4.37
Rot. Bonds4

About 1-[(2Z)-2-ethylidene-3-fluoro-4-methylpent-3-enyl]-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazine

1-[(2Z)-2-ethylidene-3-fluoro-4-methylpent-3-enyl]-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazine (PubChem CID 166907430) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-[(2Z)-2-ethylidene-3-fluoro-4-methylpent-3-enyl]-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazine.

Molecular Properties

Compound Name1-[(2Z)-2-ethylidene-3-fluoro-4-methylpent-3-enyl]-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazine
PubChem CID166907430
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name1-[(2Z)-2-ethylidene-3-fluoro-4-methylpent-3-enyl]-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazine
SMILESC=C(C)C1=CCN(C)N(C/C(=C/C)C(F)=C(C)C)C1=C
InChIInChI=1S/C17H25FN2/c1-8-15(17(18)13(4)5)11-20-14(6)16(12(2)3)9-10-19(20)7/h8-9H,2,6,10-11H2,1,3-5,7H3/b15-8-
InChIKeyPRMZYPVUMFFADZ-NVNXTCNLSA-N
XLogP4.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-2-ethylidene-3-fluoro-4-methylpent-3-enyl]-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazine?
The IUPAC name of 1-[(2Z)-2-ethylidene-3-fluoro-4-methylpent-3-enyl]-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazine (CID 166907430) is 1-[(2Z)-2-ethylidene-3-fluoro-4-methylpent-3-enyl]-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazine.
What is the SMILES notation for 1-[(2Z)-2-ethylidene-3-fluoro-4-methylpent-3-enyl]-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazine?
The canonical SMILES for 1-[(2Z)-2-ethylidene-3-fluoro-4-methylpent-3-enyl]-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazine is C=C(C)C1=CCN(C)N(C/C(=C/C)C(F)=C(C)C)C1=C.
What is the InChIKey of 1-[(2Z)-2-ethylidene-3-fluoro-4-methylpent-3-enyl]-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazine?
The InChIKey is PRMZYPVUMFFADZ-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H25FN2/c1-8-15(17(18)13(4)5)11-20-14(6)16(12(2)3)9-10-19(20)7/h8-9H,2,6,10-11H2,1,3-5,7H3/b15-8-.
What are the key properties of 1-[(2Z)-2-ethylidene-3-fluoro-4-methylpent-3-enyl]-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazine?
1-[(2Z)-2-ethylidene-3-fluoro-4-methylpent-3-enyl]-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazine has a molecular weight of 276.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-ethylidene-3-fluoro-4-methylpent-3-enyl]-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazine is sourced from PubChem (CID 166907430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).