2-[(E)-but-3-ynoxyiminomethyl]-4-fluorophenol

C11H10FNO2 — CID 137314172

IUPAC2-[(E)-but-3-ynoxyiminomethyl]-4-fluorophenol
SMILESC#CCCO/N=C/c1cc(F)ccc1O
InChIInChI=1S/C11H10FNO2/c1-2-3-6-15-13-8-9-7-10(12)4-5-11(9)14/h1,4-5,7-8,14H,3,6H2/b13-8+
InChIKeyXPESJPYXRQVUNC-MDWZMJQESA-N
MW207.20 g/mol
LogP1.91
Rot. Bonds4

About 2-[(E)-but-3-ynoxyiminomethyl]-4-fluorophenol

2-[(E)-but-3-ynoxyiminomethyl]-4-fluorophenol (PubChem CID 137314172) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-[(E)-but-3-ynoxyiminomethyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(E)-but-3-ynoxyiminomethyl]-4-fluorophenol
PubChem CID137314172
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name2-[(E)-but-3-ynoxyiminomethyl]-4-fluorophenol
SMILESC#CCCO/N=C/c1cc(F)ccc1O
InChIInChI=1S/C11H10FNO2/c1-2-3-6-15-13-8-9-7-10(12)4-5-11(9)14/h1,4-5,7-8,14H,3,6H2/b13-8+
InChIKeyXPESJPYXRQVUNC-MDWZMJQESA-N
XLogP1.91
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-3-ynoxyiminomethyl]-4-fluorophenol?
The IUPAC name of 2-[(E)-but-3-ynoxyiminomethyl]-4-fluorophenol (CID 137314172) is 2-[(E)-but-3-ynoxyiminomethyl]-4-fluorophenol.
What is the SMILES notation for 2-[(E)-but-3-ynoxyiminomethyl]-4-fluorophenol?
The canonical SMILES for 2-[(E)-but-3-ynoxyiminomethyl]-4-fluorophenol is C#CCCO/N=C/c1cc(F)ccc1O.
What is the InChIKey of 2-[(E)-but-3-ynoxyiminomethyl]-4-fluorophenol?
The InChIKey is XPESJPYXRQVUNC-MDWZMJQESA-N. The full InChI is InChI=1S/C11H10FNO2/c1-2-3-6-15-13-8-9-7-10(12)4-5-11(9)14/h1,4-5,7-8,14H,3,6H2/b13-8+.
What are the key properties of 2-[(E)-but-3-ynoxyiminomethyl]-4-fluorophenol?
2-[(E)-but-3-ynoxyiminomethyl]-4-fluorophenol has a molecular weight of 207.20 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-3-ynoxyiminomethyl]-4-fluorophenol is sourced from PubChem (CID 137314172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).