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

C10H11F2NO — CID 84721061

IUPAC3,3-difluoro-1,2,4,5-tetrahydro-1-benzazepin-6-ol
SMILESOc1cccc2c1CCC(F)(F)CN2
InChIInChI=1S/C10H11F2NO/c11-10(12)5-4-7-8(13-6-10)2-1-3-9(7)14/h1-3,13-14H,4-6H2
InChIKeyFUDCWFMAUOVBOB-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.39
Rot. Bonds

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

3,3-difluoro-1,2,4,5-tetrahydro-1-benzazepin-6-ol (PubChem CID 84721061) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 3,3-difluoro-1,2,4,5-tetrahydro-1-benzazepin-6-ol.

Molecular Properties

Compound Name3,3-difluoro-1,2,4,5-tetrahydro-1-benzazepin-6-ol
PubChem CID84721061
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name3,3-difluoro-1,2,4,5-tetrahydro-1-benzazepin-6-ol
SMILESOc1cccc2c1CCC(F)(F)CN2
InChIInChI=1S/C10H11F2NO/c11-10(12)5-4-7-8(13-6-10)2-1-3-9(7)14/h1-3,13-14H,4-6H2
InChIKeyFUDCWFMAUOVBOB-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-1,2,3,5-tetrahydro-1-benzazepin-6-ol
CID 84721057
3,3-difluoro-1,2,4,5-tetrahydro-1-benzazepin-8-ol
CID 84721063
1-fluoro-1-methyl-2,3-dihydroinden-4-ol
CID 84652361
spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopentane]-6-ol
CID 115099509
spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclobutane]-6-ol
CID 115099268
1-amino-1-methyl-2,3-dihydroinden-4-ol
CID 84716941
spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol
CID 115097893
spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclopropane]-5-ol
CID 115096997
4,4-difluoro-2,3-dihydro-1H-isoquinolin-8-ol
CID 84718894
4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine
CID 84723504
4-fluoro-4-methyl-2,3-dihydro-1H-isoquinolin-8-ol
CID 84718477
2-(1,2,3,4-tetrahydroquinolin-5-yl)phenol
CID 69017976

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1,2,4,5-tetrahydro-1-benzazepin-6-ol?
The IUPAC name of 3,3-difluoro-1,2,4,5-tetrahydro-1-benzazepin-6-ol (CID 84721061) is 3,3-difluoro-1,2,4,5-tetrahydro-1-benzazepin-6-ol.
What is the SMILES notation for 3,3-difluoro-1,2,4,5-tetrahydro-1-benzazepin-6-ol?
The canonical SMILES for 3,3-difluoro-1,2,4,5-tetrahydro-1-benzazepin-6-ol is Oc1cccc2c1CCC(F)(F)CN2.
What is the InChIKey of 3,3-difluoro-1,2,4,5-tetrahydro-1-benzazepin-6-ol?
The InChIKey is FUDCWFMAUOVBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-10(12)5-4-7-8(13-6-10)2-1-3-9(7)14/h1-3,13-14H,4-6H2.
What are the key properties of 3,3-difluoro-1,2,4,5-tetrahydro-1-benzazepin-6-ol?
3,3-difluoro-1,2,4,5-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 3,3-difluoro-1,2,4,5-tetrahydro-1-benzazepin-6-ol is sourced from PubChem (CID 84721061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).