4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde;methylhydrazine

C15H14F5N3O — CID 155712995

IUPAC4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde;methylhydrazine
SMILESCNN.O=Cc1cc(F)c(F)cc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H8F5NO.CH6N2/c15-11-5-8(7-21)13(6-12(11)16)20-10-3-1-9(2-4-10)14(17,18)19;1-3-2/h1-7,20H;3H,2H2,1H3
InChIKeyDZNFQEOJLASGHU-UHFFFAOYSA-N
MW347.29 g/mol
LogP3.62
Rot. Bonds3

About 4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde;methylhydrazine

4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde;methylhydrazine (PubChem CID 155712995) has the molecular formula C15H14F5N3O and a molecular weight of 347.29 g/mol. Its IUPAC name is 4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde;methylhydrazine.

Molecular Properties

Compound Name4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde;methylhydrazine
PubChem CID155712995
Molecular FormulaC15H14F5N3O
Molecular Weight347.29 g/mol
Exact Mass347.11
IUPAC Name4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde;methylhydrazine
SMILESCNN.O=Cc1cc(F)c(F)cc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H8F5NO.CH6N2/c15-11-5-8(7-21)13(6-12(11)16)20-10-3-1-9(2-4-10)14(17,18)19;1-3-2/h1-7,20H;3H,2H2,1H3
InChIKeyDZNFQEOJLASGHU-UHFFFAOYSA-N
XLogP3.62
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde;methylhydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde;methylhydrazine?
The IUPAC name of 4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde;methylhydrazine (CID 155712995) is 4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde;methylhydrazine.
What is the SMILES notation for 4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde;methylhydrazine?
The canonical SMILES for 4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde;methylhydrazine is CNN.O=Cc1cc(F)c(F)cc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde;methylhydrazine?
The InChIKey is DZNFQEOJLASGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5NO.CH6N2/c15-11-5-8(7-21)13(6-12(11)16)20-10-3-1-9(2-4-10)14(17,18)19;1-3-2/h1-7,20H;3H,2H2,1H3.
What are the key properties of 4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde;methylhydrazine?
4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde;methylhydrazine has a molecular weight of 347.29 g/mol, XLogP of 3.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-[4-(trifluoromethyl)anilino]benzaldehyde;methylhydrazine is sourced from PubChem (CID 155712995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).