(5Z)-N-[4-[(E)-but-2-en-2-yl]-1,4-dimethylcyclobut-2-en-1-yl]-2-ethyl-2,3,3-trimethyl-4-methylideneocta-5,7-dienimidoyl fluoride

C24H36FN — CID 134483700

IUPAC(5Z)-N-[4-[(E)-but-2-en-2-yl]-1,4-dimethylcyclobut-2-en-1-yl]-2-ethyl-2,3,3-trimethyl-4-methylideneocta-5,7-dienimidoyl fluoride
SMILESC=C/C=C\C(=C)C(C)(C)C(C)(CC)/C(F)=N/C1(C)C=CC1(C)/C(C)=C/C
InChIInChI=1S/C24H36FN/c1-11-14-15-19(5)21(6,7)22(8,13-3)20(25)26-24(10)17-16-23(24,9)18(4)12-2/h11-12,14-17H,1,5,13H2,2-4,6-10H3/b15-14-,18-12+,26-20-
InChIKeyXSVQJVLCUGPZQK-VWRJSNQMSA-N
MW357.56 g/mol
LogP7.40
Rot. Bonds8

About (5Z)-N-[4-[(E)-but-2-en-2-yl]-1,4-dimethylcyclobut-2-en-1-yl]-2-ethyl-2,3,3-trimethyl-4-methylideneocta-5,7-dienimidoyl fluoride

(5Z)-N-[4-[(E)-but-2-en-2-yl]-1,4-dimethylcyclobut-2-en-1-yl]-2-ethyl-2,3,3-trimethyl-4-methylideneocta-5,7-dienimidoyl fluoride (PubChem CID 134483700) has the molecular formula C24H36FN and a molecular weight of 357.56 g/mol. Its IUPAC name is (5Z)-N-[4-[(E)-but-2-en-2-yl]-1,4-dimethylcyclobut-2-en-1-yl]-2-ethyl-2,3,3-trimethyl-4-methylideneocta-5,7-dienimidoyl fluoride.

Molecular Properties

Compound Name(5Z)-N-[4-[(E)-but-2-en-2-yl]-1,4-dimethylcyclobut-2-en-1-yl]-2-ethyl-2,3,3-trimethyl-4-methylideneocta-5,7-dienimidoyl fluoride
PubChem CID134483700
Molecular FormulaC24H36FN
Molecular Weight357.56 g/mol
Exact Mass357.28
IUPAC Name(5Z)-N-[4-[(E)-but-2-en-2-yl]-1,4-dimethylcyclobut-2-en-1-yl]-2-ethyl-2,3,3-trimethyl-4-methylideneocta-5,7-dienimidoyl fluoride
SMILESC=C/C=C\C(=C)C(C)(C)C(C)(CC)/C(F)=N/C1(C)C=CC1(C)/C(C)=C/C
InChIInChI=1S/C24H36FN/c1-11-14-15-19(5)21(6,7)22(8,13-3)20(25)26-24(10)17-16-23(24,9)18(4)12-2/h11-12,14-17H,1,5,13H2,2-4,6-10H3/b15-14-,18-12+,26-20-
InChIKeyXSVQJVLCUGPZQK-VWRJSNQMSA-N
XLogP7.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.56
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-N-[4-[(E)-but-2-en-2-yl]-1,4-dimethylcyclobut-2-en-1-yl]-2-ethyl-2,3,3-trimethyl-4-methylideneocta-5,7-dienimidoyl fluoride?
The IUPAC name of (5Z)-N-[4-[(E)-but-2-en-2-yl]-1,4-dimethylcyclobut-2-en-1-yl]-2-ethyl-2,3,3-trimethyl-4-methylideneocta-5,7-dienimidoyl fluoride (CID 134483700) is (5Z)-N-[4-[(E)-but-2-en-2-yl]-1,4-dimethylcyclobut-2-en-1-yl]-2-ethyl-2,3,3-trimethyl-4-methylideneocta-5,7-dienimidoyl fluoride.
What is the SMILES notation for (5Z)-N-[4-[(E)-but-2-en-2-yl]-1,4-dimethylcyclobut-2-en-1-yl]-2-ethyl-2,3,3-trimethyl-4-methylideneocta-5,7-dienimidoyl fluoride?
The canonical SMILES for (5Z)-N-[4-[(E)-but-2-en-2-yl]-1,4-dimethylcyclobut-2-en-1-yl]-2-ethyl-2,3,3-trimethyl-4-methylideneocta-5,7-dienimidoyl fluoride is C=C/C=C\C(=C)C(C)(C)C(C)(CC)/C(F)=N/C1(C)C=CC1(C)/C(C)=C/C.
What is the InChIKey of (5Z)-N-[4-[(E)-but-2-en-2-yl]-1,4-dimethylcyclobut-2-en-1-yl]-2-ethyl-2,3,3-trimethyl-4-methylideneocta-5,7-dienimidoyl fluoride?
The InChIKey is XSVQJVLCUGPZQK-VWRJSNQMSA-N. The full InChI is InChI=1S/C24H36FN/c1-11-14-15-19(5)21(6,7)22(8,13-3)20(25)26-24(10)17-16-23(24,9)18(4)12-2/h11-12,14-17H,1,5,13H2,2-4,6-10H3/b15-14-,18-12+,26-20-.
What are the key properties of (5Z)-N-[4-[(E)-but-2-en-2-yl]-1,4-dimethylcyclobut-2-en-1-yl]-2-ethyl-2,3,3-trimethyl-4-methylideneocta-5,7-dienimidoyl fluoride?
(5Z)-N-[4-[(E)-but-2-en-2-yl]-1,4-dimethylcyclobut-2-en-1-yl]-2-ethyl-2,3,3-trimethyl-4-methylideneocta-5,7-dienimidoyl fluoride has a molecular weight of 357.56 g/mol, XLogP of 7.40, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-[4-[(E)-but-2-en-2-yl]-1,4-dimethylcyclobut-2-en-1-yl]-2-ethyl-2,3,3-trimethyl-4-methylideneocta-5,7-dienimidoyl fluoride is sourced from PubChem (CID 134483700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).