2-(trifluoromethyl)hexanehydrazide

C7H13F3N2O — CID 19902917

IUPAC2-(trifluoromethyl)hexanehydrazide
SMILESCCCCC(C(=O)NN)C(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-2-3-4-5(6(13)12-11)7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13)
InChIKeyUVVQTVQXYAUMQS-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.35
Rot. Bonds4

About 2-(trifluoromethyl)hexanehydrazide

2-(trifluoromethyl)hexanehydrazide (PubChem CID 19902917) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-(trifluoromethyl)hexanehydrazide.

Molecular Properties

Compound Name2-(trifluoromethyl)hexanehydrazide
PubChem CID19902917
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name2-(trifluoromethyl)hexanehydrazide
SMILESCCCCC(C(=O)NN)C(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-2-3-4-5(6(13)12-11)7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13)
InChIKeyUVVQTVQXYAUMQS-UHFFFAOYSA-N
XLogP1.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.35
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)hexanehydrazide?
The IUPAC name of 2-(trifluoromethyl)hexanehydrazide (CID 19902917) is 2-(trifluoromethyl)hexanehydrazide.
What is the SMILES notation for 2-(trifluoromethyl)hexanehydrazide?
The canonical SMILES for 2-(trifluoromethyl)hexanehydrazide is CCCCC(C(=O)NN)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)hexanehydrazide?
The InChIKey is UVVQTVQXYAUMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-2-3-4-5(6(13)12-11)7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13).
What are the key properties of 2-(trifluoromethyl)hexanehydrazide?
2-(trifluoromethyl)hexanehydrazide has a molecular weight of 198.19 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)hexanehydrazide is sourced from PubChem (CID 19902917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).