2-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol

C14H8F5NO2 — CID 136663914

IUPAC2-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol
SMILESOc1ccccc1C=NOCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H8F5NO2/c15-10-8(11(16)13(18)14(19)12(10)17)6-22-20-5-7-3-1-2-4-9(7)21/h1-5,21H,6H2
InChIKeyBWNAPEPFRCHYRY-UHFFFAOYSA-N
MW317.21 g/mol
LogP3.64
Rot. Bonds4

About 2-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol

2-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol (PubChem CID 136663914) has the molecular formula C14H8F5NO2 and a molecular weight of 317.21 g/mol. Its IUPAC name is 2-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol.

Molecular Properties

Compound Name2-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol
PubChem CID136663914
Molecular FormulaC14H8F5NO2
Molecular Weight317.21 g/mol
Exact Mass317.05
IUPAC Name2-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol
SMILESOc1ccccc1C=NOCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H8F5NO2/c15-10-8(11(16)13(18)14(19)12(10)17)6-22-20-5-7-3-1-2-4-9(7)21/h1-5,21H,6H2
InChIKeyBWNAPEPFRCHYRY-UHFFFAOYSA-N
XLogP3.64
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,6-bis[(E)-2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]benzene-1,2-diol
CID 139118549
1-(furan-2-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine
CID 171139142
6-[(E)-(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenazine-1-carboxylic acid
CID 137331352
4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]ethyl]phenol
CID 177409244
methyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate
CID 137304074
N,N'-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]pentane-1,5-diimine
CID 71433851
2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propan-1-imine
CID 602213
2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
CID 136672918
2-[(E)-fluoroiminomethyl]phenol
CID 137273576
2-bromo-N'-[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]benzohydrazide
CID 135588695
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol?
The IUPAC name of 2-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol (CID 136663914) is 2-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol.
What is the SMILES notation for 2-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol?
The canonical SMILES for 2-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol is Oc1ccccc1C=NOCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol?
The InChIKey is BWNAPEPFRCHYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5NO2/c15-10-8(11(16)13(18)14(19)12(10)17)6-22-20-5-7-3-1-2-4-9(7)21/h1-5,21H,6H2.
What are the key properties of 2-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol?
2-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol has a molecular weight of 317.21 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol is sourced from PubChem (CID 136663914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).