4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol

C13H10FNO2 — CID 137013229

IUPAC4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol
SMILESO/N=C(\c1ccccc1)c1cc(F)ccc1O
InChIInChI=1S/C13H10FNO2/c14-10-6-7-12(16)11(8-10)13(15-17)9-4-2-1-3-5-9/h1-8,16-17H/b15-13+
InChIKeyJTFZLADQJIPIBS-FYWRMAATSA-N
MW231.23 g/mol
LogP2.76
Rot. Bonds2

About 4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol

4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol (PubChem CID 137013229) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol
PubChem CID137013229
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol
SMILESO/N=C(\c1ccccc1)c1cc(F)ccc1O
InChIInChI=1S/C13H10FNO2/c14-10-6-7-12(16)11(8-10)13(15-17)9-4-2-1-3-5-9/h1-8,16-17H/b15-13+
InChIKeyJTFZLADQJIPIBS-FYWRMAATSA-N
XLogP2.76
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 138548283
2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]benzene-1,4-diol
CID 136722434
4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N,N-dimethylbutanamide
CID 3046782
4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol
CID 137191057
4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol
CID 3627789
(NZ)-N-[(3-bromo-2-fluorophenyl)-phenylmethylidene]hydroxylamine
CID 89480531
sodium 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoate
CID 135624084
(NZ)-N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine
CID 5376029
(NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine
CID 12003652
2-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-4-methoxyphenol
CID 135881446
(NE)-N-[(2-methoxyphenyl)-phenylmethylidene]hydroxylamine
CID 14927109
N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine
CID 555684

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol?
The IUPAC name of 4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol (CID 137013229) is 4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol.
What is the SMILES notation for 4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol?
The canonical SMILES for 4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol is O/N=C(\c1ccccc1)c1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol?
The InChIKey is JTFZLADQJIPIBS-FYWRMAATSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-10-6-7-12(16)11(8-10)13(15-17)9-4-2-1-3-5-9/h1-8,16-17H/b15-13+.
What are the key properties of 4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol?
4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol has a molecular weight of 231.23 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol is sourced from PubChem (CID 137013229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).