Ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole

Name: Ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₂₆F₂N₄ — CID 143819268

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole

SMILESCC.CCN1CCCC(F)(F)C1.CCn1nccn1

InChIInChI=1S/C7H13F2N.C4H7N3.C2H6/c1-2-10-5-3-4-7(8,9)6-10;1-2-7-5-3-4-6-7;1-2/h2-6H2,1H3;3-4H,2H2,1H3;1-2H3

InChIKeyTXJHMIFJDKBQKO-UHFFFAOYSA-N

MW276.38 g/mol

LogP3.06

Rot. Bonds2

About Ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole

Ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole (PubChem CID 143819268) has the molecular formula C₁₃H₂₆F₂N₄ and a molecular weight of 276.38 g/mol. Its IUPAC name is ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole.

Molecular Properties

Compound Name	Ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole
PubChem CID	143819268
Molecular Formula	C₁₃H₂₆F₂N₄
Molecular Weight	276.38 g/mol
Exact Mass	276.21
IUPAC Name	ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole
SMILES	CC.CCN1CCCC(F)(F)C1.CCn1nccn1
InChI	InChI=1S/C7H13F2N.C4H7N3.C2H6/c1-2-10-5-3-4-7(8,9)6-10;1-2-7-5-3-4-6-7;1-2/h2-6H2,1H3;3-4H,2H2,1H3;1-2H3
InChIKey	TXJHMIFJDKBQKO-UHFFFAOYSA-N
XLogP	3.06
TPSA	33.95 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	276.38
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole?

The IUPAC name of Ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole (CID 143819268) is ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole.

What is the SMILES notation for Ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole?

The canonical SMILES for Ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole is CC.CCN1CCCC(F)(F)C1.CCn1nccn1.

What is the InChIKey of Ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole?

The InChIKey is TXJHMIFJDKBQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.C4H7N3.C2H6/c1-2-10-5-3-4-7(8,9)6-10;1-2-7-5-3-4-6-7;1-2/h2-6H2,1H3;3-4H,2H2,1H3;1-2H3.

What are the key properties of Ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole?

Ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole has a molecular weight of 276.38 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole is sourced from PubChem (CID 143819268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 143819268 — identifiers, structure, computed properties (public domain)

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