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

C14H8F5NO2 — CID 136663915

IUPAC4-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol
SMILESOc1ccc(C=NOCc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C14H8F5NO2/c15-10-9(11(16)13(18)14(19)12(10)17)6-22-20-5-7-1-3-8(21)4-2-7/h1-5,21H,6H2
InChIKeyOASXTQISWFVMLH-UHFFFAOYSA-N
MW317.21 g/mol
LogP3.64
Rot. Bonds4

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

4-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol (PubChem CID 136663915) has the molecular formula C14H8F5NO2 and a molecular weight of 317.21 g/mol. Its IUPAC name is 4-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol.

Molecular Properties

Compound Name4-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol
PubChem CID136663915
Molecular FormulaC14H8F5NO2
Molecular Weight317.21 g/mol
Exact Mass317.05
IUPAC Name4-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol
SMILESOc1ccc(C=NOCc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C14H8F5NO2/c15-10-9(11(16)13(18)14(19)12(10)17)6-22-20-5-7-1-3-8(21)4-2-7/h1-5,21H,6H2
InChIKeyOASXTQISWFVMLH-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

4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]ethyl]phenol
CID 177409244
2-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol
CID 136663914
4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol
CID 139207565
4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol
CID 135580355
4-[(E)-prop-2-ynoxyiminomethyl]phenol
CID 137274237
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856167
1-(furan-2-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine
CID 171139142
N-[(2,6-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
CID 76856168
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
6-[(E)-(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenazine-1-carboxylic acid
CID 137331352
4-[[(4-fluorophenyl)methylidenehydrazinylidene]methyl]phenol
CID 136628037

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol?
The IUPAC name of 4-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol (CID 136663915) is 4-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol.
What is the SMILES notation for 4-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol?
The canonical SMILES for 4-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol is Oc1ccc(C=NOCc2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 4-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol?
The InChIKey is OASXTQISWFVMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5NO2/c15-10-9(11(16)13(18)14(19)12(10)17)6-22-20-5-7-1-3-8(21)4-2-7/h1-5,21H,6H2.
What are the key properties of 4-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol?
4-[(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 4-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol is sourced from PubChem (CID 136663915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).