NFQPLQHHSCBIAM-UHFFFAOYSA-N

C₉H₁₁F₅O₂ — CID 151187676

About NFQPLQHHSCBIAM-UHFFFAOYSA-N

NFQPLQHHSCBIAM-UHFFFAOYSA-N (PubChem CID 151187676) has the molecular formula C₉H₁₁F₅O₂ and a molecular weight of 246.17 g/mol. Its IUPAC name is 3-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane.

Molecular Properties

• Compound Name: NFQPLQHHSCBIAM-UHFFFAOYSA-N
• PubChem CID: 151187676
• Molecular Formula: C₉H₁₁F₅O₂
• Molecular Weight: 246.17 g/mol
• Exact Mass: 246.07
• IUPAC Name: 3-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane
• SMILES: CC=COCC1OCC1C(F)(F)C(F)(F)F
• InChI: InChI=1S/C9H11F5O2/c1-2-3-15-5-7-6(4-16-7)8(10,11)9(12,13)14/h2-3,6-7H,4-5H2,1H3
• InChIKey: NFQPLQHHSCBIAM-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	246.17
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of NFQPLQHHSCBIAM-UHFFFAOYSA-N (CID 151187676) is 3-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane.

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

The canonical SMILES for NFQPLQHHSCBIAM-UHFFFAOYSA-N is CC=COCC1OCC1C(F)(F)C(F)(F)F.

What is the InChIKey of NFQPLQHHSCBIAM-UHFFFAOYSA-N?

The InChIKey is NFQPLQHHSCBIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5O2/c1-2-3-15-5-7-6(4-16-7)8(10,11)9(12,13)14/h2-3,6-7H,4-5H2,1H3.

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

NFQPLQHHSCBIAM-UHFFFAOYSA-N has a molecular weight of 246.17 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for NFQPLQHHSCBIAM-UHFFFAOYSA-N is sourced from PubChem (CID 151187676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151187676 — identifiers, structure, computed properties (public domain)

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