formohydrazide;4-(trifluoromethoxy)aniline

C8H10F3N3O2 — CID 175142236

IUPACformohydrazide;4-(trifluoromethoxy)aniline
SMILESNNC=O.Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C7H6F3NO.CH4N2O/c8-7(9,10)12-6-3-1-5(11)2-4-6;2-3-1-4/h1-4H,11H2;1H,2H2,(H,3,4)
InChIKeyJECVRONDICTRRG-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.77
Rot. Bonds2

About formohydrazide;4-(trifluoromethoxy)aniline

formohydrazide;4-(trifluoromethoxy)aniline (PubChem CID 175142236) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is formohydrazide;4-(trifluoromethoxy)aniline.

Molecular Properties

Compound Nameformohydrazide;4-(trifluoromethoxy)aniline
PubChem CID175142236
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Nameformohydrazide;4-(trifluoromethoxy)aniline
SMILESNNC=O.Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C7H6F3NO.CH4N2O/c8-7(9,10)12-6-3-1-5(11)2-4-6;2-3-1-4/h1-4H,11H2;1H,2H2,(H,3,4)
InChIKeyJECVRONDICTRRG-UHFFFAOYSA-N
XLogP0.77
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
CID 72575162
4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
CID 59838870
4-(trifluoromethoxy)benzenesulfonohydrazide
CID 2744727
[4-(trifluoromethoxy)phenyl] N-aminocarbamate
CID 143175748
N-methylethanamine;4-(trifluoromethoxy)benzaldehyde
CID 171100197
2-amino-2-[4-(trifluoromethoxy)phenyl]acetaldehyde
CID 90042234
N-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide
CID 134332225
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
(Z)-3-[4-(trifluoromethoxy)phenyl]prop-2-enal
CID 122129912
4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzaldehyde
CID 87214534

Frequently Asked Questions

What is the IUPAC name of formohydrazide;4-(trifluoromethoxy)aniline?
The IUPAC name of formohydrazide;4-(trifluoromethoxy)aniline (CID 175142236) is formohydrazide;4-(trifluoromethoxy)aniline.
What is the SMILES notation for formohydrazide;4-(trifluoromethoxy)aniline?
The canonical SMILES for formohydrazide;4-(trifluoromethoxy)aniline is NNC=O.Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of formohydrazide;4-(trifluoromethoxy)aniline?
The InChIKey is JECVRONDICTRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO.CH4N2O/c8-7(9,10)12-6-3-1-5(11)2-4-6;2-3-1-4/h1-4H,11H2;1H,2H2,(H,3,4).
What are the key properties of formohydrazide;4-(trifluoromethoxy)aniline?
formohydrazide;4-(trifluoromethoxy)aniline has a molecular weight of 237.18 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formohydrazide;4-(trifluoromethoxy)aniline is sourced from PubChem (CID 175142236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).