1-[(2Z,4Z)-2,5-bis(fluoromethyl)nona-2,4-dienyl]-2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazine

C24H38F2N2 — CID 166907322

IUPAC1-[(2Z,4Z)-2,5-bis(fluoromethyl)nona-2,4-dienyl]-2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazine
SMILESC=C(C)C1=C(C)C(C(C)C)N(C)N(C/C(=C/C=C(\CF)CCCC)CF)C1=C
InChIInChI=1S/C24H38F2N2/c1-9-10-11-21(14-25)12-13-22(15-26)16-28-20(7)23(17(2)3)19(6)24(18(4)5)27(28)8/h12-13,18,24H,2,7,9-11,14-16H2,1,3-6,8H3/b21-12-,22-13+
InChIKeyNCPCHAQMPBSCBC-VZHHCOETSA-N
MW392.58 g/mol
LogP6.56
Rot. Bonds10

About 1-[(2Z,4Z)-2,5-bis(fluoromethyl)nona-2,4-dienyl]-2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazine

1-[(2Z,4Z)-2,5-bis(fluoromethyl)nona-2,4-dienyl]-2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazine (PubChem CID 166907322) has the molecular formula C24H38F2N2 and a molecular weight of 392.58 g/mol. Its IUPAC name is 1-[(2Z,4Z)-2,5-bis(fluoromethyl)nona-2,4-dienyl]-2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazine.

Molecular Properties

Compound Name1-[(2Z,4Z)-2,5-bis(fluoromethyl)nona-2,4-dienyl]-2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazine
PubChem CID166907322
Molecular FormulaC24H38F2N2
Molecular Weight392.58 g/mol
Exact Mass392.30
IUPAC Name1-[(2Z,4Z)-2,5-bis(fluoromethyl)nona-2,4-dienyl]-2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazine
SMILESC=C(C)C1=C(C)C(C(C)C)N(C)N(C/C(=C/C=C(\CF)CCCC)CF)C1=C
InChIInChI=1S/C24H38F2N2/c1-9-10-11-21(14-25)12-13-22(15-26)16-28-20(7)23(17(2)3)19(6)24(18(4)5)27(28)8/h12-13,18,24H,2,7,9-11,14-16H2,1,3-6,8H3/b21-12-,22-13+
InChIKeyNCPCHAQMPBSCBC-VZHHCOETSA-N
XLogP6.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 56.56
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,4Z)-2,5-bis(fluoromethyl)nona-2,4-dienyl]-2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazine?
The IUPAC name of 1-[(2Z,4Z)-2,5-bis(fluoromethyl)nona-2,4-dienyl]-2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazine (CID 166907322) is 1-[(2Z,4Z)-2,5-bis(fluoromethyl)nona-2,4-dienyl]-2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazine.
What is the SMILES notation for 1-[(2Z,4Z)-2,5-bis(fluoromethyl)nona-2,4-dienyl]-2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazine?
The canonical SMILES for 1-[(2Z,4Z)-2,5-bis(fluoromethyl)nona-2,4-dienyl]-2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazine is C=C(C)C1=C(C)C(C(C)C)N(C)N(C/C(=C/C=C(\CF)CCCC)CF)C1=C.
What is the InChIKey of 1-[(2Z,4Z)-2,5-bis(fluoromethyl)nona-2,4-dienyl]-2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazine?
The InChIKey is NCPCHAQMPBSCBC-VZHHCOETSA-N. The full InChI is InChI=1S/C24H38F2N2/c1-9-10-11-21(14-25)12-13-22(15-26)16-28-20(7)23(17(2)3)19(6)24(18(4)5)27(28)8/h12-13,18,24H,2,7,9-11,14-16H2,1,3-6,8H3/b21-12-,22-13+.
What are the key properties of 1-[(2Z,4Z)-2,5-bis(fluoromethyl)nona-2,4-dienyl]-2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazine?
1-[(2Z,4Z)-2,5-bis(fluoromethyl)nona-2,4-dienyl]-2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazine has a molecular weight of 392.58 g/mol, XLogP of 6.56, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4Z)-2,5-bis(fluoromethyl)nona-2,4-dienyl]-2,4-dimethyl-6-methylidene-3-propan-2-yl-5-prop-1-en-2-yl-3H-pyridazine is sourced from PubChem (CID 166907322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).