N-[(3Z)-4-fluoro-2-methylpenta-1,3-dien-3-yl]-N'-methylcarbamimidoyl chloride

C8H12ClFN2 — CID 164904342

IUPACN-[(3Z)-4-fluoro-2-methylpenta-1,3-dien-3-yl]-N'-methylcarbamimidoyl chloride
SMILESC=C(C)/C(N/C(Cl)=N/C)=C(\C)F
InChIInChI=1S/C8H12ClFN2/c1-5(2)7(6(3)10)12-8(9)11-4/h1H2,2-4H3,(H,11,12)/b7-6-
InChIKeyUMQDJOROCUINSL-SREVYHEPSA-N
MW190.65 g/mol
LogP2.58
Rot. Bonds2

About N-[(3Z)-4-fluoro-2-methylpenta-1,3-dien-3-yl]-N'-methylcarbamimidoyl chloride

N-[(3Z)-4-fluoro-2-methylpenta-1,3-dien-3-yl]-N'-methylcarbamimidoyl chloride (PubChem CID 164904342) has the molecular formula C8H12ClFN2 and a molecular weight of 190.65 g/mol. Its IUPAC name is N-[(3Z)-4-fluoro-2-methylpenta-1,3-dien-3-yl]-N'-methylcarbamimidoyl chloride.

Molecular Properties

Compound NameN-[(3Z)-4-fluoro-2-methylpenta-1,3-dien-3-yl]-N'-methylcarbamimidoyl chloride
PubChem CID164904342
Molecular FormulaC8H12ClFN2
Molecular Weight190.65 g/mol
Exact Mass190.07
IUPAC NameN-[(3Z)-4-fluoro-2-methylpenta-1,3-dien-3-yl]-N'-methylcarbamimidoyl chloride
SMILESC=C(C)/C(N/C(Cl)=N/C)=C(\C)F
InChIInChI=1S/C8H12ClFN2/c1-5(2)7(6(3)10)12-8(9)11-4/h1H2,2-4H3,(H,11,12)/b7-6-
InChIKeyUMQDJOROCUINSL-SREVYHEPSA-N
XLogP2.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.65
LogP ≤ 52.58
H-Bond Donors ≤ 51
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

N-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylcarbamimidoyl chloride
CID 144829310
N-(2-fluoro-4-methylpenta-1,3-dien-3-yl)-N'-methylcarbamimidoyl chloride
CID 177021684
N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]carbamimidoyl chloride
CID 144251355
ethane;N-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylcarbamimidoyl chloride
CID 144829309
N'-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]carbamimidoyl chloride
CID 168899667

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-4-fluoro-2-methylpenta-1,3-dien-3-yl]-N'-methylcarbamimidoyl chloride?
The IUPAC name of N-[(3Z)-4-fluoro-2-methylpenta-1,3-dien-3-yl]-N'-methylcarbamimidoyl chloride (CID 164904342) is N-[(3Z)-4-fluoro-2-methylpenta-1,3-dien-3-yl]-N'-methylcarbamimidoyl chloride.
What is the SMILES notation for N-[(3Z)-4-fluoro-2-methylpenta-1,3-dien-3-yl]-N'-methylcarbamimidoyl chloride?
The canonical SMILES for N-[(3Z)-4-fluoro-2-methylpenta-1,3-dien-3-yl]-N'-methylcarbamimidoyl chloride is C=C(C)/C(N/C(Cl)=N/C)=C(\C)F.
What is the InChIKey of N-[(3Z)-4-fluoro-2-methylpenta-1,3-dien-3-yl]-N'-methylcarbamimidoyl chloride?
The InChIKey is UMQDJOROCUINSL-SREVYHEPSA-N. The full InChI is InChI=1S/C8H12ClFN2/c1-5(2)7(6(3)10)12-8(9)11-4/h1H2,2-4H3,(H,11,12)/b7-6-.
What are the key properties of N-[(3Z)-4-fluoro-2-methylpenta-1,3-dien-3-yl]-N'-methylcarbamimidoyl chloride?
N-[(3Z)-4-fluoro-2-methylpenta-1,3-dien-3-yl]-N'-methylcarbamimidoyl chloride has a molecular weight of 190.65 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-4-fluoro-2-methylpenta-1,3-dien-3-yl]-N'-methylcarbamimidoyl chloride is sourced from PubChem (CID 164904342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).