2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene

C₇H₆FNO₂S — CID 164681134

About 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene

2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene (PubChem CID 164681134) has the molecular formula C₇H₆FNO₂S and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene.

Molecular Properties

• Compound Name: 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene
• PubChem CID: 164681134
• Molecular Formula: C₇H₆FNO₂S
• Molecular Weight: 187.19 g/mol
• Exact Mass: 187.01
• IUPAC Name: 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene
• SMILES: O=[N+]([O-])[C@H]1[C@H](F)[C@@H]1c1cccs1
• InChI: InChI=1S/C7H6FNO2S/c8-6-5(7(6)9(10)11)4-2-1-3-12-4/h1-3,5-7H/t5-,6+,7+/m0/s1
• InChIKey: CRLKWZSFGKXCAY-RRKCRQDMSA-N
• XLogP: 1.83
• TPSA: 43.14 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	187.19
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene?

The IUPAC name of 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene (CID 164681134) is 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene.

What is the SMILES notation for 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene?

The canonical SMILES for 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene is O=[N+]([O-])[C@H]1[C@H](F)[C@@H]1c1cccs1.

What is the InChIKey of 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene?

The InChIKey is CRLKWZSFGKXCAY-RRKCRQDMSA-N. The full InChI is InChI=1S/C7H6FNO2S/c8-6-5(7(6)9(10)11)4-2-1-3-12-4/h1-3,5-7H/t5-,6+,7+/m0/s1.

What are the key properties of 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene?

2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene has a molecular weight of 187.19 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,2R,3R)-2-fluoro-3-nitrocyclopropyl]thiophene is sourced from PubChem (CID 164681134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 164681134 — identifiers, structure, computed properties (public domain)

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