4-(trifluoromethoxy)cyclohexane-1-carbohydrazide

C8H13F3N2O2 — CID 140551113

IUPAC4-(trifluoromethoxy)cyclohexane-1-carbohydrazide
SMILESNNC(=O)C1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)15-6-3-1-5(2-4-6)7(14)13-12/h5-6H,1-4,12H2,(H,13,14)
InChIKeyAGYKUXPELUVNOH-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.07
Rot. Bonds2

About 4-(trifluoromethoxy)cyclohexane-1-carbohydrazide

4-(trifluoromethoxy)cyclohexane-1-carbohydrazide (PubChem CID 140551113) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 4-(trifluoromethoxy)cyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name4-(trifluoromethoxy)cyclohexane-1-carbohydrazide
PubChem CID140551113
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name4-(trifluoromethoxy)cyclohexane-1-carbohydrazide
SMILESNNC(=O)C1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)15-6-3-1-5(2-4-6)7(14)13-12/h5-6H,1-4,12H2,(H,13,14)
InChIKeyAGYKUXPELUVNOH-UHFFFAOYSA-N
XLogP1.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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 4-(trifluoromethoxy)cyclohexane-1-carbohydrazide?
The IUPAC name of 4-(trifluoromethoxy)cyclohexane-1-carbohydrazide (CID 140551113) is 4-(trifluoromethoxy)cyclohexane-1-carbohydrazide.
What is the SMILES notation for 4-(trifluoromethoxy)cyclohexane-1-carbohydrazide?
The canonical SMILES for 4-(trifluoromethoxy)cyclohexane-1-carbohydrazide is NNC(=O)C1CCC(OC(F)(F)F)CC1.
What is the InChIKey of 4-(trifluoromethoxy)cyclohexane-1-carbohydrazide?
The InChIKey is AGYKUXPELUVNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)15-6-3-1-5(2-4-6)7(14)13-12/h5-6H,1-4,12H2,(H,13,14).
What are the key properties of 4-(trifluoromethoxy)cyclohexane-1-carbohydrazide?
4-(trifluoromethoxy)cyclohexane-1-carbohydrazide has a molecular weight of 226.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)cyclohexane-1-carbohydrazide is sourced from PubChem (CID 140551113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).