A1L1O

C₁₉H₁₈F₃NO — CID 172916311

About A1L1O

A1L1O (PubChem CID 172916311) has the molecular formula C₁₉H₁₈F₃NO and a molecular weight of 333.35 g/mol. Its IUPAC name is 1-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one.

Molecular Properties

• Compound Name: A1L1O
• PubChem CID: 172916311
• Molecular Formula: C₁₉H₁₈F₃NO
• Molecular Weight: 333.35 g/mol
• Exact Mass: 333.13
• IUPAC Name: 1-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
• SMILES: CCC(=O)N1CCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2C1
• InChI: InChI=1S/C19H18F3NO/c1-2-18(24)23-10-9-14-3-4-15(11-16(14)12-23)13-5-7-17(8-6-13)19(20,21)22/h3-8,11H,2,9-10,12H2,1H3
• InChIKey: ZYQGABWQIVIATN-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 20.31 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.35
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of A1L1O?

The IUPAC name of A1L1O (CID 172916311) is 1-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one.

What is the SMILES notation for A1L1O?

The canonical SMILES for A1L1O is CCC(=O)N1CCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2C1.

What is the InChIKey of A1L1O?

The InChIKey is ZYQGABWQIVIATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO/c1-2-18(24)23-10-9-14-3-4-15(11-16(14)12-23)13-5-7-17(8-6-13)19(20,21)22/h3-8,11H,2,9-10,12H2,1H3.

What are the key properties of A1L1O?

A1L1O has a molecular weight of 333.35 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for A1L1O is sourced from PubChem (CID 172916311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 172916311 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.