RHFIGQJDLRNQEI-UHFFFAOYSA-N

Name: RHFIGQJDLRNQEI-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₁BrF₃NO — CID 135263825

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-(7-bromo-4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone

SMILESCC1CN(C(=O)C(F)(F)F)Cc2cc(Br)ccc21

InChIInChI=1S/C12H11BrF3NO/c1-7-5-17(11(18)12(14,15)16)6-8-4-9(13)2-3-10(7)8/h2-4,7H,5-6H2,1H3

InChIKeyRHFIGQJDLRNQEI-UHFFFAOYSA-N

MW322.12 g/mol

LogP3.46

Rot. Bonds

About RHFIGQJDLRNQEI-UHFFFAOYSA-N

RHFIGQJDLRNQEI-UHFFFAOYSA-N (PubChem CID 135263825) has the molecular formula C₁₂H₁₁BrF₃NO and a molecular weight of 322.12 g/mol. Its IUPAC name is 1-(7-bromo-4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name	RHFIGQJDLRNQEI-UHFFFAOYSA-N
PubChem CID	135263825
Molecular Formula	C₁₂H₁₁BrF₃NO
Molecular Weight	322.12 g/mol
Exact Mass	321.00
IUPAC Name	1-(7-bromo-4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone
SMILES	CC1CN(C(=O)C(F)(F)F)Cc2cc(Br)ccc21
InChI	InChI=1S/C12H11BrF3NO/c1-7-5-17(11(18)12(14,15)16)6-8-4-9(13)2-3-10(7)8/h2-4,7H,5-6H2,1H3
InChIKey	RHFIGQJDLRNQEI-UHFFFAOYSA-N
XLogP	3.46
TPSA	20.31 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.12
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of RHFIGQJDLRNQEI-UHFFFAOYSA-N (CID 135263825) is 1-(7-bromo-4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone.

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

The canonical SMILES for RHFIGQJDLRNQEI-UHFFFAOYSA-N is CC1CN(C(=O)C(F)(F)F)Cc2cc(Br)ccc21.

What is the InChIKey of RHFIGQJDLRNQEI-UHFFFAOYSA-N?

The InChIKey is RHFIGQJDLRNQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF3NO/c1-7-5-17(11(18)12(14,15)16)6-8-4-9(13)2-3-10(7)8/h2-4,7H,5-6H2,1H3.

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

RHFIGQJDLRNQEI-UHFFFAOYSA-N has a molecular weight of 322.12 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for RHFIGQJDLRNQEI-UHFFFAOYSA-N is sourced from PubChem (CID 135263825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 135263825 — identifiers, structure, computed properties (public domain)

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