RCRRWGYWWNSMLW-FSDSQADBSA-N

C₈H₁₁F₂NO₂ — CID 154298054

About RCRRWGYWWNSMLW-FSDSQADBSA-N

RCRRWGYWWNSMLW-FSDSQADBSA-N (PubChem CID 154298054) has the molecular formula C₈H₁₁F₂NO₂ and a molecular weight of 191.18 g/mol. Its IUPAC name is (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde.

Molecular Properties

• Compound Name: RCRRWGYWWNSMLW-FSDSQADBSA-N
• PubChem CID: 154298054
• Molecular Formula: C₈H₁₁F₂NO₂
• Molecular Weight: 191.18 g/mol
• Exact Mass: 191.08
• IUPAC Name: (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde
• SMILES: O=C[C@@H]1[C@@H](C=O)CNC[C@H]1C(F)F
• InChI: InChI=1S/C8H11F2NO2/c9-8(10)6-2-11-1-5(3-12)7(6)4-13/h3-8,11H,1-2H2/t5-,6-,7-/m1/s1
• InChIKey: RCRRWGYWWNSMLW-FSDSQADBSA-N
• XLogP: 0.10
• TPSA: 46.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	191.18
LogP ≤ 5	0.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of RCRRWGYWWNSMLW-FSDSQADBSA-N?

The IUPAC name of RCRRWGYWWNSMLW-FSDSQADBSA-N (CID 154298054) is (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde.

What is the SMILES notation for RCRRWGYWWNSMLW-FSDSQADBSA-N?

The canonical SMILES for RCRRWGYWWNSMLW-FSDSQADBSA-N is O=C[C@@H]1[C@@H](C=O)CNC[C@H]1C(F)F.

What is the InChIKey of RCRRWGYWWNSMLW-FSDSQADBSA-N?

The InChIKey is RCRRWGYWWNSMLW-FSDSQADBSA-N. The full InChI is InChI=1S/C8H11F2NO2/c9-8(10)6-2-11-1-5(3-12)7(6)4-13/h3-8,11H,1-2H2/t5-,6-,7-/m1/s1.

What are the key properties of RCRRWGYWWNSMLW-FSDSQADBSA-N?

RCRRWGYWWNSMLW-FSDSQADBSA-N has a molecular weight of 191.18 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for RCRRWGYWWNSMLW-FSDSQADBSA-N is sourced from PubChem (CID 154298054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154298054 — identifiers, structure, computed properties (public domain)

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