1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol

C16H18FNO — CID 134287066

IUPAC1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol
SMILESC=C(O)c1cc(F)ccc1/C(C)=N/C=C\C=C\CC
InChIInChI=1S/C16H18FNO/c1-4-5-6-7-10-18-12(2)15-9-8-14(17)11-16(15)13(3)19/h5-11,19H,3-4H2,1-2H3/b6-5+,10-7-,18-12+
InChIKeyYHVPSJDQINVCSF-MQDHKDISSA-N
MW259.32 g/mol
LogP4.64
Rot. Bonds5

About 1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol

1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol (PubChem CID 134287066) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol.

Molecular Properties

Compound Name1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol
PubChem CID134287066
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol
SMILESC=C(O)c1cc(F)ccc1/C(C)=N/C=C\C=C\CC
InChIInChI=1S/C16H18FNO/c1-4-5-6-7-10-18-12(2)15-9-8-14(17)11-16(15)13(3)19/h5-11,19H,3-4H2,1-2H3/b6-5+,10-7-,18-12+
InChIKeyYHVPSJDQINVCSF-MQDHKDISSA-N
XLogP4.64
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol?
The IUPAC name of 1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol (CID 134287066) is 1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol.
What is the SMILES notation for 1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol?
The canonical SMILES for 1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol is C=C(O)c1cc(F)ccc1/C(C)=N/C=C\C=C\CC.
What is the InChIKey of 1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol?
The InChIKey is YHVPSJDQINVCSF-MQDHKDISSA-N. The full InChI is InChI=1S/C16H18FNO/c1-4-5-6-7-10-18-12(2)15-9-8-14(17)11-16(15)13(3)19/h5-11,19H,3-4H2,1-2H3/b6-5+,10-7-,18-12+.
What are the key properties of 1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol?
1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol has a molecular weight of 259.32 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol is sourced from PubChem (CID 134287066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).