5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol

C10H12FNO — CID 84718493

IUPAC5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol
SMILESOc1cccc2c1CNCCC2F
InChIInChI=1S/C10H12FNO/c11-9-4-5-12-6-8-7(9)2-1-3-10(8)13/h1-3,9,12-13H,4-6H2
InChIKeyOYPPUWGLHCPZGJ-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.90
Rot. Bonds

About 5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol

5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol (PubChem CID 84718493) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol.

Molecular Properties

Compound Name5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol
PubChem CID84718493
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol
SMILESOc1cccc2c1CNCCC2F
InChIInChI=1S/C10H12FNO/c11-9-4-5-12-6-8-7(9)2-1-3-10(8)13/h1-3,9,12-13H,4-6H2
InChIKeyOYPPUWGLHCPZGJ-UHFFFAOYSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105438006
4-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105447033
1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol
CID 84733976
4-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105459336
6-chloro-5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84721189
2-amino-3-piperidin-4-ylphenol
CID 117103764
1-phenyl-2,3-dihydro-1H-isoindol-4-ol
CID 84734564
2,3,4,5-tetrahydro-1,4-benzoxazepin-6-ol
CID 83826793
5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol
CID 84720485
2-amino-3-pyrrolidin-3-ylphenol
CID 117103712
1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol
CID 84735897
1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-6-ol
CID 115015229

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol?
The IUPAC name of 5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol (CID 84718493) is 5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol.
What is the SMILES notation for 5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol?
The canonical SMILES for 5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol is Oc1cccc2c1CNCCC2F.
What is the InChIKey of 5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol?
The InChIKey is OYPPUWGLHCPZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-9-4-5-12-6-8-7(9)2-1-3-10(8)13/h1-3,9,12-13H,4-6H2.
What are the key properties of 5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol?
5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol has a molecular weight of 181.21 g/mol, XLogP of 1.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol is sourced from PubChem (CID 84718493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).