(2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone

C₁₄H₁₈FNO₂ — CID 79658227

About (2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone

(2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone (PubChem CID 79658227) has the molecular formula C₁₄H₁₈FNO₂ and a molecular weight of 251.30 g/mol. Its IUPAC name is (2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone.

Molecular Properties

• Compound Name: (2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone
• PubChem CID: 79658227
• Molecular Formula: C₁₄H₁₈FNO₂
• Molecular Weight: 251.30 g/mol
• Exact Mass: 251.13
• IUPAC Name: (2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone
• SMILES: CC(C)N1CCOC(C(=O)c2ccccc2F)C1
• InChI: InChI=1S/C14H18FNO2/c1-10(2)16-7-8-18-13(9-16)14(17)11-5-3-4-6-12(11)15/h3-6,10,13H,7-9H2,1-2H3
• InChIKey: GFLXWZPIXPGRJA-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 29.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	251.30
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone?

The IUPAC name of (2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone (CID 79658227) is (2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone.

What is the SMILES notation for (2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone?

The canonical SMILES for (2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone is CC(C)N1CCOC(C(=O)c2ccccc2F)C1.

What is the InChIKey of (2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone?

The InChIKey is GFLXWZPIXPGRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10(2)16-7-8-18-13(9-16)14(17)11-5-3-4-6-12(11)15/h3-6,10,13H,7-9H2,1-2H3.

What are the key properties of (2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone?

(2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone has a molecular weight of 251.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone is sourced from PubChem (CID 79658227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 79658227 — identifiers, structure, computed properties (public domain)

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