2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol

C13H7F5N2O — CID 136672918

IUPAC2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N\Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H7F5N2O/c14-8-9(15)11(17)13(12(18)10(8)16)20-19-5-6-3-1-2-4-7(6)21/h1-5,20-21H/b19-5-
InChIKeyMEDIXZXVKSJKBU-IPKBDRFQSA-N
MW302.20 g/mol
LogP3.53
Rot. Bonds3

About 2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol

2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol (PubChem CID 136672918) has the molecular formula C13H7F5N2O and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
PubChem CID136672918
Molecular FormulaC13H7F5N2O
Molecular Weight302.20 g/mol
Exact Mass302.05
IUPAC Name2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N\Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H7F5N2O/c14-8-9(15)11(17)13(12(18)10(8)16)20-19-5-6-3-1-2-4-7(6)21/h1-5,20-21H/b19-5-
InChIKeyMEDIXZXVKSJKBU-IPKBDRFQSA-N
XLogP3.53
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

2-bromo-6-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
CID 4564059
2,3,5,6-tetrafluoro-N-[(2-fluorophenyl)methylideneamino]aniline
CID 4113252
2,3,5,6-tetrafluoro-N-[(Z)-(2-fluorophenyl)methylideneamino]aniline
CID 6013048
2-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 136914398
2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-6-propan-2-ylphenol
CID 136910735
2,3,4,5,6-pentafluoro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 5080899
2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 6291151
2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439965
2,3,4,5,6-pentafluoro-N-[(E)-(4-fluorophenyl)methylideneamino]aniline
CID 14933363
1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea
CID 3446799
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 3681408
4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile
CID 139084695

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol (CID 136672918) is 2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol is Oc1ccccc1/C=N\Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is MEDIXZXVKSJKBU-IPKBDRFQSA-N. The full InChI is InChI=1S/C13H7F5N2O/c14-8-9(15)11(17)13(12(18)10(8)16)20-19-5-6-3-1-2-4-7(6)21/h1-5,20-21H/b19-5-.
What are the key properties of 2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol?
2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 302.20 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136672918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).