N'-[(Z)-4-fluorohex-3-en-3-yl]carbamimidoyl fluoride

C7H12F2N2 — CID 167161843

IUPACN'-[(Z)-4-fluorohex-3-en-3-yl]carbamimidoyl fluoride
SMILESCC/C(F)=C(CC)/N=C(/N)F
InChIInChI=1S/C7H12F2N2/c1-3-5(8)6(4-2)11-7(9)10/h3-4H2,1-2H3,(H2,10,11)/b6-5-
InChIKeyQAGCGVRMXGNQJS-WAYWQWQTSA-N
MW162.18 g/mol
LogP2.27
Rot. Bonds3

About N'-[(Z)-4-fluorohex-3-en-3-yl]carbamimidoyl fluoride

N'-[(Z)-4-fluorohex-3-en-3-yl]carbamimidoyl fluoride (PubChem CID 167161843) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is N'-[(Z)-4-fluorohex-3-en-3-yl]carbamimidoyl fluoride.

Molecular Properties

Compound NameN'-[(Z)-4-fluorohex-3-en-3-yl]carbamimidoyl fluoride
PubChem CID167161843
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC NameN'-[(Z)-4-fluorohex-3-en-3-yl]carbamimidoyl fluoride
SMILESCC/C(F)=C(CC)/N=C(/N)F
InChIInChI=1S/C7H12F2N2/c1-3-5(8)6(4-2)11-7(9)10/h3-4H2,1-2H3,(H2,10,11)/b6-5-
InChIKeyQAGCGVRMXGNQJS-WAYWQWQTSA-N
XLogP2.27
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.27
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-4-fluorohex-3-en-3-yl]carbamimidoyl fluoride?
The IUPAC name of N'-[(Z)-4-fluorohex-3-en-3-yl]carbamimidoyl fluoride (CID 167161843) is N'-[(Z)-4-fluorohex-3-en-3-yl]carbamimidoyl fluoride.
What is the SMILES notation for N'-[(Z)-4-fluorohex-3-en-3-yl]carbamimidoyl fluoride?
The canonical SMILES for N'-[(Z)-4-fluorohex-3-en-3-yl]carbamimidoyl fluoride is CC/C(F)=C(CC)/N=C(/N)F.
What is the InChIKey of N'-[(Z)-4-fluorohex-3-en-3-yl]carbamimidoyl fluoride?
The InChIKey is QAGCGVRMXGNQJS-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H12F2N2/c1-3-5(8)6(4-2)11-7(9)10/h3-4H2,1-2H3,(H2,10,11)/b6-5-.
What are the key properties of N'-[(Z)-4-fluorohex-3-en-3-yl]carbamimidoyl fluoride?
N'-[(Z)-4-fluorohex-3-en-3-yl]carbamimidoyl fluoride has a molecular weight of 162.18 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-4-fluorohex-3-en-3-yl]carbamimidoyl fluoride is sourced from PubChem (CID 167161843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).