3-(trifluoromethyl)pyrrolidine-3-carbohydrazide

C6H10F3N3O — CID 63992790

IUPAC3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
SMILESNNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C6H10F3N3O/c7-6(8,9)5(4(13)12-10)1-2-11-3-5/h11H,1-3,10H2,(H,12,13)
InChIKeyKPQBSIPGIDBKMI-UHFFFAOYSA-N
MW197.16 g/mol
LogP-0.48
Rot. Bonds1

About 3-(trifluoromethyl)pyrrolidine-3-carbohydrazide

3-(trifluoromethyl)pyrrolidine-3-carbohydrazide (PubChem CID 63992790) has the molecular formula C6H10F3N3O and a molecular weight of 197.16 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
PubChem CID63992790
Molecular FormulaC6H10F3N3O
Molecular Weight197.16 g/mol
Exact Mass197.08
IUPAC Name3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
SMILESNNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C6H10F3N3O/c7-6(8,9)5(4(13)12-10)1-2-11-3-5/h11H,1-3,10H2,(H,12,13)
InChIKeyKPQBSIPGIDBKMI-UHFFFAOYSA-N
XLogP-0.48
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
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 3-(trifluoromethyl)pyrrolidine-3-carbohydrazide?
The IUPAC name of 3-(trifluoromethyl)pyrrolidine-3-carbohydrazide (CID 63992790) is 3-(trifluoromethyl)pyrrolidine-3-carbohydrazide.
What is the SMILES notation for 3-(trifluoromethyl)pyrrolidine-3-carbohydrazide?
The canonical SMILES for 3-(trifluoromethyl)pyrrolidine-3-carbohydrazide is NNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 3-(trifluoromethyl)pyrrolidine-3-carbohydrazide?
The InChIKey is KPQBSIPGIDBKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3O/c7-6(8,9)5(4(13)12-10)1-2-11-3-5/h11H,1-3,10H2,(H,12,13).
What are the key properties of 3-(trifluoromethyl)pyrrolidine-3-carbohydrazide?
3-(trifluoromethyl)pyrrolidine-3-carbohydrazide has a molecular weight of 197.16 g/mol, XLogP of -0.48, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pyrrolidine-3-carbohydrazide is sourced from PubChem (CID 63992790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).