3-(trifluoromethyl)piperidin-1-amine

C6H11F3N2 — CID 53417581

IUPAC3-(trifluoromethyl)piperidin-1-amine
SMILESNN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C6H11F3N2/c7-6(8,9)5-2-1-3-11(10)4-5/h5H,1-4,10H2
InChIKeyDTQLBVFZQGXECP-UHFFFAOYSA-N
MW168.16 g/mol
LogP1.13
Rot. Bonds

About 3-(trifluoromethyl)piperidin-1-amine

3-(trifluoromethyl)piperidin-1-amine (PubChem CID 53417581) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 3-(trifluoromethyl)piperidin-1-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)piperidin-1-amine
PubChem CID53417581
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC Name3-(trifluoromethyl)piperidin-1-amine
SMILESNN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C6H11F3N2/c7-6(8,9)5-2-1-3-11(10)4-5/h5H,1-4,10H2
InChIKeyDTQLBVFZQGXECP-UHFFFAOYSA-N
XLogP1.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)piperidin-1-amine?
The IUPAC name of 3-(trifluoromethyl)piperidin-1-amine (CID 53417581) is 3-(trifluoromethyl)piperidin-1-amine.
What is the SMILES notation for 3-(trifluoromethyl)piperidin-1-amine?
The canonical SMILES for 3-(trifluoromethyl)piperidin-1-amine is NN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethyl)piperidin-1-amine?
The InChIKey is DTQLBVFZQGXECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2/c7-6(8,9)5-2-1-3-11(10)4-5/h5H,1-4,10H2.
What are the key properties of 3-(trifluoromethyl)piperidin-1-amine?
3-(trifluoromethyl)piperidin-1-amine has a molecular weight of 168.16 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)piperidin-1-amine is sourced from PubChem (CID 53417581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).