3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol

C14H10ClF3N2O2 — CID 135819465

IUPAC3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol
SMILESOc1cc(/C=N/Nc2ccccc2C(F)(F)F)cc(Cl)c1O
InChIInChI=1S/C14H10ClF3N2O2/c15-10-5-8(6-12(21)13(10)22)7-19-20-11-4-2-1-3-9(11)14(16,17)18/h1-7,20-22H/b19-7+
InChIKeyCMERUJZGVYDDIN-FBCYGCLPSA-N
MW330.69 g/mol
LogP4.22
Rot. Bonds3

About 3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol

3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol (PubChem CID 135819465) has the molecular formula C14H10ClF3N2O2 and a molecular weight of 330.69 g/mol. Its IUPAC name is 3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol
PubChem CID135819465
Molecular FormulaC14H10ClF3N2O2
Molecular Weight330.69 g/mol
Exact Mass330.04
IUPAC Name3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol
SMILESOc1cc(/C=N/Nc2ccccc2C(F)(F)F)cc(Cl)c1O
InChIInChI=1S/C14H10ClF3N2O2/c15-10-5-8(6-12(21)13(10)22)7-19-20-11-4-2-1-3-9(11)14(16,17)18/h1-7,20-22H/b19-7+
InChIKeyCMERUJZGVYDDIN-FBCYGCLPSA-N
XLogP4.22
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.69
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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

N-[(Z)-benzylideneamino]-2-(trifluoromethyl)aniline
CID 6305730
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline
CID 71145987
2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 3511340
3-chloro-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
CID 135747793
2-nitro-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135622227
3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid
CID 59021950
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(trifluoromethyl)aniline
CID 6187772
2-chloro-4-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 135622259
2-methoxy-6-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135675966
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline
CID 3976623
2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 4688997
2-chloro-6-methoxy-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 137065454

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol?
The IUPAC name of 3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol (CID 135819465) is 3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol.
What is the SMILES notation for 3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol?
The canonical SMILES for 3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol is Oc1cc(/C=N/Nc2ccccc2C(F)(F)F)cc(Cl)c1O.
What is the InChIKey of 3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol?
The InChIKey is CMERUJZGVYDDIN-FBCYGCLPSA-N. The full InChI is InChI=1S/C14H10ClF3N2O2/c15-10-5-8(6-12(21)13(10)22)7-19-20-11-4-2-1-3-9(11)14(16,17)18/h1-7,20-22H/b19-7+.
What are the key properties of 3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol?
3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol has a molecular weight of 330.69 g/mol, XLogP of 4.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol is sourced from PubChem (CID 135819465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).