2-[(E)-2-chloroprop-2-enoxyiminomethyl]-4-fluorophenol

C10H9ClFNO2 — CID 137279193

IUPAC2-[(E)-2-chloroprop-2-enoxyiminomethyl]-4-fluorophenol
SMILESC=C(Cl)CO/N=C/c1cc(F)ccc1O
InChIInChI=1S/C10H9ClFNO2/c1-7(11)6-15-13-5-8-4-9(12)2-3-10(8)14/h2-5,14H,1,6H2/b13-5+
InChIKeyKZZLMURMDYBHTC-WLRTZDKTSA-N
MW229.64 g/mol
LogP2.63
Rot. Bonds4

About 2-[(E)-2-chloroprop-2-enoxyiminomethyl]-4-fluorophenol

2-[(E)-2-chloroprop-2-enoxyiminomethyl]-4-fluorophenol (PubChem CID 137279193) has the molecular formula C10H9ClFNO2 and a molecular weight of 229.64 g/mol. Its IUPAC name is 2-[(E)-2-chloroprop-2-enoxyiminomethyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(E)-2-chloroprop-2-enoxyiminomethyl]-4-fluorophenol
PubChem CID137279193
Molecular FormulaC10H9ClFNO2
Molecular Weight229.64 g/mol
Exact Mass229.03
IUPAC Name2-[(E)-2-chloroprop-2-enoxyiminomethyl]-4-fluorophenol
SMILESC=C(Cl)CO/N=C/c1cc(F)ccc1O
InChIInChI=1S/C10H9ClFNO2/c1-7(11)6-15-13-5-8-4-9(12)2-3-10(8)14/h2-5,14H,1,6H2/b13-5+
InChIKeyKZZLMURMDYBHTC-WLRTZDKTSA-N
XLogP2.63
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.64
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-but-3-ynoxyiminomethyl]-4-fluorophenol
CID 137314172
4-fluoro-2-[(E)-pent-2-ynoxyiminomethyl]phenol
CID 137276920
4-fluoro-2-[(E)-hept-4-ynoxyiminomethyl]phenol
CID 137304155
4-chloro-2-[(E)-[(E)-2,3-dibromoprop-2-enoxy]iminomethyl]phenol
CID 137303928
4-chloro-2-[(E)-ethoxyiminomethyl]phenol
CID 135674625
2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592804
4-fluoro-2-(pentyliminomethyl)phenol
CID 144549323
(S)-N-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 150635533
1-[(5-fluoro-2-hydroxyphenyl)methylideneamino]-3-methylthiourea
CID 167713511
1-[2-(2-chloroprop-2-enoxy)-4-fluorophenyl]ethanone
CID 63067319
2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol
CID 136914415
2-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol
CID 136663914

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-chloroprop-2-enoxyiminomethyl]-4-fluorophenol?
The IUPAC name of 2-[(E)-2-chloroprop-2-enoxyiminomethyl]-4-fluorophenol (CID 137279193) is 2-[(E)-2-chloroprop-2-enoxyiminomethyl]-4-fluorophenol.
What is the SMILES notation for 2-[(E)-2-chloroprop-2-enoxyiminomethyl]-4-fluorophenol?
The canonical SMILES for 2-[(E)-2-chloroprop-2-enoxyiminomethyl]-4-fluorophenol is C=C(Cl)CO/N=C/c1cc(F)ccc1O.
What is the InChIKey of 2-[(E)-2-chloroprop-2-enoxyiminomethyl]-4-fluorophenol?
The InChIKey is KZZLMURMDYBHTC-WLRTZDKTSA-N. The full InChI is InChI=1S/C10H9ClFNO2/c1-7(11)6-15-13-5-8-4-9(12)2-3-10(8)14/h2-5,14H,1,6H2/b13-5+.
What are the key properties of 2-[(E)-2-chloroprop-2-enoxyiminomethyl]-4-fluorophenol?
2-[(E)-2-chloroprop-2-enoxyiminomethyl]-4-fluorophenol has a molecular weight of 229.64 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-chloroprop-2-enoxyiminomethyl]-4-fluorophenol is sourced from PubChem (CID 137279193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).