4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-6-ol

C10H11F2NO — CID 84721057

IUPAC4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-6-ol
SMILESOc1cccc2c1CC(F)(F)CCN2
InChIInChI=1S/C10H11F2NO/c11-10(12)4-5-13-8-2-1-3-9(14)7(8)6-10/h1-3,13-14H,4-6H2
InChIKeyLMSWSNVAOYWVGM-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.39
Rot. Bonds

About 4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-6-ol

4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-6-ol (PubChem CID 84721057) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-6-ol.

Molecular Properties

Compound Name4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-6-ol
PubChem CID84721057
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-6-ol
SMILESOc1cccc2c1CC(F)(F)CCN2
InChIInChI=1S/C10H11F2NO/c11-10(12)4-5-13-8-2-1-3-9(14)7(8)6-10/h1-3,13-14H,4-6H2
InChIKeyLMSWSNVAOYWVGM-UHFFFAOYSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine
CID 84723504
3,3-difluoro-1,2,4,5-tetrahydro-1-benzazepin-6-ol
CID 84721061
4,5-difluoro-4-methyl-2,3-dihydro-1H-quinoline
CID 84718702
2-(1,2,3,4-tetrahydroquinolin-5-yl)phenol
CID 69017976
4,4-dimethyl-1,2,3,5-tetrahydro-1-benzazepine;ethane
CID 142006260
5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol
CID 84720485
4-fluoro-4-methyl-1,2,3,5-tetrahydro-1-benzazepin-7-ol
CID 84720475
5-propan-2-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 135388396
1-fluoro-1-methyl-2,3-dihydroinden-4-ol
CID 84652361
6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
CID 130526508
spiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclopropane]
CID 131150820
4,4-difluoro-2,3-dihydro-1H-isoquinolin-8-ol
CID 84718894

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-6-ol?
The IUPAC name of 4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-6-ol (CID 84721057) is 4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-6-ol.
What is the SMILES notation for 4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-6-ol?
The canonical SMILES for 4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-6-ol is Oc1cccc2c1CC(F)(F)CCN2.
What is the InChIKey of 4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-6-ol?
The InChIKey is LMSWSNVAOYWVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-10(12)4-5-13-8-2-1-3-9(14)7(8)6-10/h1-3,13-14H,4-6H2.
What are the key properties of 4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-6-ol?
4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-6-ol has a molecular weight of 199.20 g/mol, XLogP of 2.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-6-ol is sourced from PubChem (CID 84721057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).