formohydrazide;1-[2-[(E)-2-(furan-2-yl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine

C15H17F3N4O2 — CID 144838244

IUPACformohydrazide;1-[2-[(E)-2-(furan-2-yl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine
SMILESCN(N)c1cccc(C(F)(F)F)c1/C=C/c1ccco1.NNC=O
InChIInChI=1S/C14H13F3N2O.CH4N2O/c1-19(18)13-6-2-5-12(14(15,16)17)11(13)8-7-10-4-3-9-20-10;2-3-1-4/h2-9H,18H2,1H3;1H,2H2,(H,3,4)/b8-7+;
InChIKeyCNWPQCCCAJPULL-USRGLUTNSA-N
MW342.32 g/mol
LogP2.38
Rot. Bonds4

About formohydrazide;1-[2-[(E)-2-(furan-2-yl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine

formohydrazide;1-[2-[(E)-2-(furan-2-yl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine (PubChem CID 144838244) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is formohydrazide;1-[2-[(E)-2-(furan-2-yl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine.

Molecular Properties

Compound Nameformohydrazide;1-[2-[(E)-2-(furan-2-yl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine
PubChem CID144838244
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Nameformohydrazide;1-[2-[(E)-2-(furan-2-yl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine
SMILESCN(N)c1cccc(C(F)(F)F)c1/C=C/c1ccco1.NNC=O
InChIInChI=1S/C14H13F3N2O.CH4N2O/c1-19(18)13-6-2-5-12(14(15,16)17)11(13)8-7-10-4-3-9-20-10;2-3-1-4/h2-9H,18H2,1H3;1H,2H2,(H,3,4)/b8-7+;
InChIKeyCNWPQCCCAJPULL-USRGLUTNSA-N
XLogP2.38
TPSA97.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formohydrazide;1-[2-[(E)-2-(furan-2-yl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine?
The IUPAC name of formohydrazide;1-[2-[(E)-2-(furan-2-yl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine (CID 144838244) is formohydrazide;1-[2-[(E)-2-(furan-2-yl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine.
What is the SMILES notation for formohydrazide;1-[2-[(E)-2-(furan-2-yl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine?
The canonical SMILES for formohydrazide;1-[2-[(E)-2-(furan-2-yl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine is CN(N)c1cccc(C(F)(F)F)c1/C=C/c1ccco1.NNC=O.
What is the InChIKey of formohydrazide;1-[2-[(E)-2-(furan-2-yl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine?
The InChIKey is CNWPQCCCAJPULL-USRGLUTNSA-N. The full InChI is InChI=1S/C14H13F3N2O.CH4N2O/c1-19(18)13-6-2-5-12(14(15,16)17)11(13)8-7-10-4-3-9-20-10;2-3-1-4/h2-9H,18H2,1H3;1H,2H2,(H,3,4)/b8-7+;.
What are the key properties of formohydrazide;1-[2-[(E)-2-(furan-2-yl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine?
formohydrazide;1-[2-[(E)-2-(furan-2-yl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine has a molecular weight of 342.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formohydrazide;1-[2-[(E)-2-(furan-2-yl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine is sourced from PubChem (CID 144838244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).