TTXNELNYWXNSLM-UHFFFAOYSA-N

C₆H₉F₂N — CID 142576662

About TTXNELNYWXNSLM-UHFFFAOYSA-N

TTXNELNYWXNSLM-UHFFFAOYSA-N (PubChem CID 142576662) has the molecular formula C₆H₉F₂N and a molecular weight of 133.14 g/mol. Its IUPAC name is 6,6-difluoro-4-azaspiro[2.4]heptane.

Molecular Properties

• Compound Name: TTXNELNYWXNSLM-UHFFFAOYSA-N
• PubChem CID: 142576662
• Molecular Formula: C₆H₉F₂N
• Molecular Weight: 133.14 g/mol
• Exact Mass: 133.07
• IUPAC Name: 6,6-difluoro-4-azaspiro[2.4]heptane
• SMILES: FC1(F)CNC2(CC2)C1
• InChI: InChI=1S/C6H9F2N/c7-6(8)3-5(1-2-5)9-4-6/h9H,1-4H2
• InChIKey: TTXNELNYWXNSLM-UHFFFAOYSA-N
• XLogP: 1.15
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	133.14
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of TTXNELNYWXNSLM-UHFFFAOYSA-N?

The IUPAC name of TTXNELNYWXNSLM-UHFFFAOYSA-N (CID 142576662) is 6,6-difluoro-4-azaspiro[2.4]heptane.

What is the SMILES notation for TTXNELNYWXNSLM-UHFFFAOYSA-N?

The canonical SMILES for TTXNELNYWXNSLM-UHFFFAOYSA-N is FC1(F)CNC2(CC2)C1.

What is the InChIKey of TTXNELNYWXNSLM-UHFFFAOYSA-N?

The InChIKey is TTXNELNYWXNSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N/c7-6(8)3-5(1-2-5)9-4-6/h9H,1-4H2.

What are the key properties of TTXNELNYWXNSLM-UHFFFAOYSA-N?

TTXNELNYWXNSLM-UHFFFAOYSA-N has a molecular weight of 133.14 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for TTXNELNYWXNSLM-UHFFFAOYSA-N is sourced from PubChem (CID 142576662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142576662 — identifiers, structure, computed properties (public domain)

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