(NZ)-N-[(4E)-5-fluoro-2-methylhepta-1,4,6-trien-3-ylidene]-N'-methylcarbamimidoyl chloride

C10H12ClFN2 — CID 142498574

IUPAC(NZ)-N-[(4E)-5-fluoro-2-methylhepta-1,4,6-trien-3-ylidene]-N'-methylcarbamimidoyl chloride
SMILESC=C/C(F)=C\C(=N\C(Cl)=N\C)C(=C)C
InChIInChI=1S/C10H12ClFN2/c1-5-8(12)6-9(7(2)3)14-10(11)13-4/h5-6H,1-2H2,3-4H3/b8-6+,13-10+,14-9-
InChIKeyRGBPNKSVUDDDDN-JFYPOKMJSA-N
MW214.67 g/mol
LogP3.27
Rot. Bonds3

About (NZ)-N-[(4E)-5-fluoro-2-methylhepta-1,4,6-trien-3-ylidene]-N'-methylcarbamimidoyl chloride

(NZ)-N-[(4E)-5-fluoro-2-methylhepta-1,4,6-trien-3-ylidene]-N'-methylcarbamimidoyl chloride (PubChem CID 142498574) has the molecular formula C10H12ClFN2 and a molecular weight of 214.67 g/mol. Its IUPAC name is (NZ)-N-[(4E)-5-fluoro-2-methylhepta-1,4,6-trien-3-ylidene]-N'-methylcarbamimidoyl chloride.

Molecular Properties

Compound Name(NZ)-N-[(4E)-5-fluoro-2-methylhepta-1,4,6-trien-3-ylidene]-N'-methylcarbamimidoyl chloride
PubChem CID142498574
Molecular FormulaC10H12ClFN2
Molecular Weight214.67 g/mol
Exact Mass214.07
IUPAC Name(NZ)-N-[(4E)-5-fluoro-2-methylhepta-1,4,6-trien-3-ylidene]-N'-methylcarbamimidoyl chloride
SMILESC=C/C(F)=C\C(=N\C(Cl)=N\C)C(=C)C
InChIInChI=1S/C10H12ClFN2/c1-5-8(12)6-9(7(2)3)14-10(11)13-4/h5-6H,1-2H2,3-4H3/b8-6+,13-10+,14-9-
InChIKeyRGBPNKSVUDDDDN-JFYPOKMJSA-N
XLogP3.27
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine
CID 143981182
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444
N-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide
CID 170031327
N-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylpropanimidamide
CID 90718255
N'-methyl-N-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide
CID 129181531
N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide
CID 129275588
ethane;N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide
CID 141880734
ethane;N'-methyl-N-[(4Z,8Z)-3,6,7-trimethylideneundeca-4,8,10-trien-2-ylidene]ethanimidamide
CID 142608345
N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane
CID 143635653
N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane
CID 143635668
N-[(4Z)-3-methylidenehepta-4,6-dien-2-ylidene]-N'-propylethanimidamide
CID 145606288
N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide
CID 141880735

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(4E)-5-fluoro-2-methylhepta-1,4,6-trien-3-ylidene]-N'-methylcarbamimidoyl chloride?
The IUPAC name of (NZ)-N-[(4E)-5-fluoro-2-methylhepta-1,4,6-trien-3-ylidene]-N'-methylcarbamimidoyl chloride (CID 142498574) is (NZ)-N-[(4E)-5-fluoro-2-methylhepta-1,4,6-trien-3-ylidene]-N'-methylcarbamimidoyl chloride.
What is the SMILES notation for (NZ)-N-[(4E)-5-fluoro-2-methylhepta-1,4,6-trien-3-ylidene]-N'-methylcarbamimidoyl chloride?
The canonical SMILES for (NZ)-N-[(4E)-5-fluoro-2-methylhepta-1,4,6-trien-3-ylidene]-N'-methylcarbamimidoyl chloride is C=C/C(F)=C\C(=N\C(Cl)=N\C)C(=C)C.
What is the InChIKey of (NZ)-N-[(4E)-5-fluoro-2-methylhepta-1,4,6-trien-3-ylidene]-N'-methylcarbamimidoyl chloride?
The InChIKey is RGBPNKSVUDDDDN-JFYPOKMJSA-N. The full InChI is InChI=1S/C10H12ClFN2/c1-5-8(12)6-9(7(2)3)14-10(11)13-4/h5-6H,1-2H2,3-4H3/b8-6+,13-10+,14-9-.
What are the key properties of (NZ)-N-[(4E)-5-fluoro-2-methylhepta-1,4,6-trien-3-ylidene]-N'-methylcarbamimidoyl chloride?
(NZ)-N-[(4E)-5-fluoro-2-methylhepta-1,4,6-trien-3-ylidene]-N'-methylcarbamimidoyl chloride has a molecular weight of 214.67 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4E)-5-fluoro-2-methylhepta-1,4,6-trien-3-ylidene]-N'-methylcarbamimidoyl chloride is sourced from PubChem (CID 142498574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).