6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline-7-carbaldehyde

C11H12FNO — CID 155700641

IUPAC6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline-7-carbaldehyde
SMILESCN1CCc2cc(F)c(C=O)cc2C1
InChIInChI=1S/C11H12FNO/c1-13-3-2-8-5-11(12)10(7-14)4-9(8)6-13/h4-5,7H,2-3,6H2,1H3
InChIKeyUDYKWTHAJKAHOC-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.63
Rot. Bonds1

About 6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline-7-carbaldehyde

6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline-7-carbaldehyde (PubChem CID 155700641) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline-7-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline-7-carbaldehyde
PubChem CID155700641
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline-7-carbaldehyde
SMILESCN1CCc2cc(F)c(C=O)cc2C1
InChIInChI=1S/C11H12FNO/c1-13-3-2-8-5-11(12)10(7-14)4-9(8)6-13/h4-5,7H,2-3,6H2,1H3
InChIKeyUDYKWTHAJKAHOC-UHFFFAOYSA-N
XLogP1.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

Ethanone, 2,2,2-trifluoro-1-(1,2,3,4-tetrahydro-7-isoquinolinyl)-
CID 10587794
1-(1,2,3,4-Tetrahydroisoquinolin-7-yl)ethan-1-one
CID 12823192
Tert-butyl 6-formyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
CID 18680129
Tert-butyl 7-formyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
CID 21250549
Tert-butyl 5-formyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
CID 22335239
1-Oxo-1,2,3,4-tetrahydroisoquinoline-6-carbaldehyde
CID 58615246
1-Oxo-1,2,3,4-tetrahydroisoquinoline-7-carbaldehyde
CID 64224045
2-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]-3,4-dihydro-1H-isoquinoline-6-carbaldehyde
CID 166636362
6-fluoro-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
CID 54126637
5-fluoro-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
CID 85816810
2-Ethyl-6-fluoro-3,4-dihydroisoquinolin-1-one
CID 134986871
1-(3,4-Dimethylbenzoyl)piperidine
CID 669700

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline-7-carbaldehyde?
The IUPAC name of 6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline-7-carbaldehyde (CID 155700641) is 6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline-7-carbaldehyde.
What is the SMILES notation for 6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline-7-carbaldehyde?
The canonical SMILES for 6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline-7-carbaldehyde is CN1CCc2cc(F)c(C=O)cc2C1.
What is the InChIKey of 6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline-7-carbaldehyde?
The InChIKey is UDYKWTHAJKAHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-13-3-2-8-5-11(12)10(7-14)4-9(8)6-13/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline-7-carbaldehyde?
6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline-7-carbaldehyde has a molecular weight of 193.22 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline-7-carbaldehyde is sourced from PubChem (CID 155700641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).