N'-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide

C8H12F3N3O2 — CID 143394750

IUPACN'-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C(F)(F)F)C1CCCNC1
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)7(16)14-13-6(15)5-2-1-3-12-4-5/h5,12H,1-4H2,(H,13,15)(H,14,16)
InChIKeyFVAPPCLQPSRCTL-UHFFFAOYSA-N
MW239.20 g/mol
LogP-0.30
Rot. Bonds1

About N'-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide

N'-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide (PubChem CID 143394750) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is N'-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide
PubChem CID143394750
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC NameN'-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C(F)(F)F)C1CCCNC1
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)7(16)14-13-6(15)5-2-1-3-12-4-5/h5,12H,1-4H2,(H,13,15)(H,14,16)
InChIKeyFVAPPCLQPSRCTL-UHFFFAOYSA-N
XLogP-0.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide?
The IUPAC name of N'-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide (CID 143394750) is N'-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide.
What is the SMILES notation for N'-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide?
The canonical SMILES for N'-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide is O=C(NNC(=O)C(F)(F)F)C1CCCNC1.
What is the InChIKey of N'-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide?
The InChIKey is FVAPPCLQPSRCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c9-8(10,11)7(16)14-13-6(15)5-2-1-3-12-4-5/h5,12H,1-4H2,(H,13,15)(H,14,16).
What are the key properties of N'-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide?
N'-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide has a molecular weight of 239.20 g/mol, XLogP of -0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 143394750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).