4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzaldehyde

C15H11F3N2O2 — CID 87214534

IUPAC4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzaldehyde
SMILESN/N=C(\c1ccc(C=O)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)22-13-7-5-12(6-8-13)14(20-19)11-3-1-10(9-21)2-4-11/h1-9H,19H2/b20-14+
InChIKeyRFBIKNIDKNARFE-XSFVSMFZSA-N
MW308.26 g/mol
LogP3.11
Rot. Bonds4

About 4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzaldehyde

4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzaldehyde (PubChem CID 87214534) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzaldehyde.

Molecular Properties

Compound Name4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzaldehyde
PubChem CID87214534
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzaldehyde
SMILESN/N=C(\c1ccc(C=O)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)22-13-7-5-12(6-8-13)14(20-19)11-3-1-10(9-21)2-4-11/h1-9H,19H2/b20-14+
InChIKeyRFBIKNIDKNARFE-XSFVSMFZSA-N
XLogP3.11
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzonitrile
CID 118578762
N-methylethanamine;4-(trifluoromethoxy)benzaldehyde
CID 171100197
2-[4-(trifluoromethoxy)phenyl]ethene-1,1-disulfonamide
CID 175108202
4-[diazenyl-[4-(trifluoromethoxy)phenyl]methyl]benzaldehyde
CID 91338085
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
2-methyl-3-[4-(trifluoromethoxy)phenyl]prop-2-enal
CID 79330887
4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 165416807
methane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde
CID 143849528
methyl 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzoate
CID 66707351
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
(Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal
CID 122129912
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzaldehyde?
The IUPAC name of 4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzaldehyde (CID 87214534) is 4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzaldehyde.
What is the SMILES notation for 4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzaldehyde?
The canonical SMILES for 4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzaldehyde is N/N=C(\c1ccc(C=O)cc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzaldehyde?
The InChIKey is RFBIKNIDKNARFE-XSFVSMFZSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c16-15(17,18)22-13-7-5-12(6-8-13)14(20-19)11-3-1-10(9-21)2-4-11/h1-9H,19H2/b20-14+.
What are the key properties of 4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzaldehyde?
4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzaldehyde has a molecular weight of 308.26 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzaldehyde is sourced from PubChem (CID 87214534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).