LQDBBBDNBSPDHT-UHFFFAOYSA-N

C₉H₁₄F₂O₂ — CID 159424119

About LQDBBBDNBSPDHT-UHFFFAOYSA-N

LQDBBBDNBSPDHT-UHFFFAOYSA-N (PubChem CID 159424119) has the molecular formula C₉H₁₄F₂O₂ and a molecular weight of 192.20 g/mol. Its IUPAC name is 3,3-difluoro-2-methylprop-1-ene;2-(oxiran-2-yl)oxetane.

Molecular Properties

• Compound Name: LQDBBBDNBSPDHT-UHFFFAOYSA-N
• PubChem CID: 159424119
• Molecular Formula: C₉H₁₄F₂O₂
• Molecular Weight: 192.20 g/mol
• Exact Mass: 192.10
• IUPAC Name: 3,3-difluoro-2-methylprop-1-ene;2-(oxiran-2-yl)oxetane
• SMILES: C1CC(C2CO2)O1.C=C(C)C(F)F
• InChI: InChI=1S/C5H8O2.C4H6F2/c1-2-6-4(1)5-3-7-5;1-3(2)4(5)6/h4-5H,1-3H2;4H,1H2,2H3
• InChIKey: LQDBBBDNBSPDHT-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 21.76 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	192.20
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of LQDBBBDNBSPDHT-UHFFFAOYSA-N (CID 159424119) is 3,3-difluoro-2-methylprop-1-ene;2-(oxiran-2-yl)oxetane.

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

The canonical SMILES for LQDBBBDNBSPDHT-UHFFFAOYSA-N is C1CC(C2CO2)O1.C=C(C)C(F)F.

What is the InChIKey of LQDBBBDNBSPDHT-UHFFFAOYSA-N?

The InChIKey is LQDBBBDNBSPDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C4H6F2/c1-2-6-4(1)5-3-7-5;1-3(2)4(5)6/h4-5H,1-3H2;4H,1H2,2H3.

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

LQDBBBDNBSPDHT-UHFFFAOYSA-N has a molecular weight of 192.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for LQDBBBDNBSPDHT-UHFFFAOYSA-N is sourced from PubChem (CID 159424119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159424119 — identifiers, structure, computed properties (public domain)

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