5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine

C10H12FN — CID 84717049

IUPAC5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESFC1CNCCc2ccccc21
InChIInChI=1S/C10H12FN/c11-10-7-12-6-5-8-3-1-2-4-9(8)10/h1-4,10,12H,5-7H2
InChIKeyPLYVGSKKAGBWTN-UHFFFAOYSA-N
MW165.21 g/mol
LogP1.84
Rot. Bonds

About 5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine

5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 84717049) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID84717049
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESFC1CNCCc2ccccc21
InChIInChI=1S/C10H12FN/c11-10-7-12-6-5-8-3-1-2-4-9(8)10/h1-4,10,12H,5-7H2
InChIKeyPLYVGSKKAGBWTN-UHFFFAOYSA-N
XLogP1.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 66614248
5-(oxan-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 146304906
(4aS,10bR)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isoquinoline
CID 54260071
5-thiophen-2-ylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 150399305
1,2,3,4,5,6,7,8-octahydro-3,6-benzodiazecine
CID 156519075
azane;2,3,4,5-tetrahydro-1H-3-benzazepine
CID 135204749
5-amino-1,2,3,5-tetrahydro-3-benzazepin-4-one
CID 22312263
oxalic acid;5-phenoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 158118981
1-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 174787793
3-[(1R)-3,4-dihydro-1H-isochromen-1-yl]azetidine
CID 122456658
3-[(1S)-3,4-dihydro-1H-isochromen-1-yl]azetidine
CID 122456651
1-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 91044952

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 84717049) is 5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine is FC1CNCCc2ccccc21.
What is the InChIKey of 5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is PLYVGSKKAGBWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c11-10-7-12-6-5-8-3-1-2-4-9(8)10/h1-4,10,12H,5-7H2.
What are the key properties of 5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine?
5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 165.21 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 84717049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).