(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazide

C10H9F3N2O — CID 154724108

IUPAC(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazide
SMILESNNC(=O)/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(16)15-14/h1-6H,14H2,(H,15,16)/b6-3+
InChIKeySLXURUFEDCUSLP-ZZXKWVIFSA-N
MW230.19 g/mol
LogP1.71
Rot. Bonds2

About (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazide

(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazide (PubChem CID 154724108) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazide
PubChem CID154724108
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazide
SMILESNNC(=O)/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(16)15-14/h1-6H,14H2,(H,15,16)/b6-3+
InChIKeySLXURUFEDCUSLP-ZZXKWVIFSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazide (CID 154724108) is (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazide is NNC(=O)/C=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazide?
The InChIKey is SLXURUFEDCUSLP-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H9F3N2O/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(16)15-14/h1-6H,14H2,(H,15,16)/b6-3+.
What are the key properties of (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazide?
(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazide has a molecular weight of 230.19 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enehydrazide is sourced from PubChem (CID 154724108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).