OAJBFLSMQMFHRO-UHFFFAOYSA-N

C₉H₃F₅ — CID 151290666

About OAJBFLSMQMFHRO-UHFFFAOYSA-N

OAJBFLSMQMFHRO-UHFFFAOYSA-N (PubChem CID 151290666) has the molecular formula C₉H₃F₅ and a molecular weight of 206.11 g/mol. Its IUPAC name is 5-ethynyl-1,3-difluoro-2-(trifluoromethyl)benzene.

Molecular Properties

• Compound Name: OAJBFLSMQMFHRO-UHFFFAOYSA-N
• PubChem CID: 151290666
• Molecular Formula: C₉H₃F₅
• Molecular Weight: 206.11 g/mol
• Exact Mass: 206.02
• IUPAC Name: 5-ethynyl-1,3-difluoro-2-(trifluoromethyl)benzene
• SMILES: C#Cc1cc(F)c(C(F)(F)F)c(F)c1
• InChI: InChI=1S/C9H3F5/c1-2-5-3-6(10)8(7(11)4-5)9(12,13)14/h1,3-4H
• InChIKey: OAJBFLSMQMFHRO-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 0.00 Ų
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	206.11
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of OAJBFLSMQMFHRO-UHFFFAOYSA-N (CID 151290666) is 5-ethynyl-1,3-difluoro-2-(trifluoromethyl)benzene.

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

The canonical SMILES for OAJBFLSMQMFHRO-UHFFFAOYSA-N is C#Cc1cc(F)c(C(F)(F)F)c(F)c1.

What is the InChIKey of OAJBFLSMQMFHRO-UHFFFAOYSA-N?

The InChIKey is OAJBFLSMQMFHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F5/c1-2-5-3-6(10)8(7(11)4-5)9(12,13)14/h1,3-4H.

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

OAJBFLSMQMFHRO-UHFFFAOYSA-N has a molecular weight of 206.11 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for OAJBFLSMQMFHRO-UHFFFAOYSA-N is sourced from PubChem (CID 151290666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151290666 — identifiers, structure, computed properties (public domain)

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