2-fluoro-4-propan-2-yl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol

C14H15FN4O — CID 170688114

IUPAC2-fluoro-4-propan-2-yl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol
SMILESCC(C)c1cc(F)c(O)c(/C=N/Nc2cnccn2)c1
InChIInChI=1S/C14H15FN4O/c1-9(2)10-5-11(14(20)12(15)6-10)7-18-19-13-8-16-3-4-17-13/h3-9,20H,1-2H3,(H,17,19)/b18-7+
InChIKeyVWCYOUXAUIJNPS-CNHKJKLMSA-N
MW274.30 g/mol
LogP2.89
Rot. Bonds4

About 2-fluoro-4-propan-2-yl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol

2-fluoro-4-propan-2-yl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 170688114) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-fluoro-4-propan-2-yl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-propan-2-yl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol
PubChem CID170688114
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name2-fluoro-4-propan-2-yl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol
SMILESCC(C)c1cc(F)c(O)c(/C=N/Nc2cnccn2)c1
InChIInChI=1S/C14H15FN4O/c1-9(2)10-5-11(14(20)12(15)6-10)7-18-19-13-8-16-3-4-17-13/h3-9,20H,1-2H3,(H,17,19)/b18-7+
InChIKeyVWCYOUXAUIJNPS-CNHKJKLMSA-N
XLogP2.89
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-propan-2-yl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-fluoro-4-propan-2-yl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol (CID 170688114) is 2-fluoro-4-propan-2-yl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-fluoro-4-propan-2-yl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-fluoro-4-propan-2-yl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol is CC(C)c1cc(F)c(O)c(/C=N/Nc2cnccn2)c1.
What is the InChIKey of 2-fluoro-4-propan-2-yl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is VWCYOUXAUIJNPS-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-9(2)10-5-11(14(20)12(15)6-10)7-18-19-13-8-16-3-4-17-13/h3-9,20H,1-2H3,(H,17,19)/b18-7+.
What are the key properties of 2-fluoro-4-propan-2-yl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol?
2-fluoro-4-propan-2-yl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 274.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-propan-2-yl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 170688114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).