LEVLBSJCOBACGO-UHFFFAOYSA-N

C₈H₁₇F₂N — CID 61043538

About LEVLBSJCOBACGO-UHFFFAOYSA-N

LEVLBSJCOBACGO-UHFFFAOYSA-N (PubChem CID 61043538) has the molecular formula C₈H₁₇F₂N and a molecular weight of 165.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-methylpentan-1-amine.

Molecular Properties

• Compound Name: LEVLBSJCOBACGO-UHFFFAOYSA-N
• PubChem CID: 61043538
• Molecular Formula: C₈H₁₇F₂N
• Molecular Weight: 165.23 g/mol
• Exact Mass: 165.13
• IUPAC Name: N-(2,2-difluoroethyl)-4-methylpentan-1-amine
• SMILES: CC(C)CCCNCC(F)F
• InChI: InChI=1S/C8H17F2N/c1-7(2)4-3-5-11-6-8(9)10/h7-8,11H,3-6H2,1-2H3
• InChIKey: LEVLBSJCOBACGO-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	165.23
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of LEVLBSJCOBACGO-UHFFFAOYSA-N (CID 61043538) is N-(2,2-difluoroethyl)-4-methylpentan-1-amine.

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

The canonical SMILES for LEVLBSJCOBACGO-UHFFFAOYSA-N is CC(C)CCCNCC(F)F.

What is the InChIKey of LEVLBSJCOBACGO-UHFFFAOYSA-N?

The InChIKey is LEVLBSJCOBACGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N/c1-7(2)4-3-5-11-6-8(9)10/h7-8,11H,3-6H2,1-2H3.

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

LEVLBSJCOBACGO-UHFFFAOYSA-N has a molecular weight of 165.23 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for LEVLBSJCOBACGO-UHFFFAOYSA-N is sourced from PubChem (CID 61043538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 61043538 — identifiers, structure, computed properties (public domain)

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