4-fluoro-4-methyl-1,2,3,5-tetrahydro-1-benzazepin-7-ol

C11H14FNO — CID 84720475

IUPAC4-fluoro-4-methyl-1,2,3,5-tetrahydro-1-benzazepin-7-ol
SMILESCC1(F)CCNc2ccc(O)cc2C1
InChIInChI=1S/C11H14FNO/c1-11(12)4-5-13-10-3-2-9(14)6-8(10)7-11/h2-3,6,13-14H,4-5,7H2,1H3
InChIKeyJRDWEMBIDQDJRF-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.48
Rot. Bonds

About 4-fluoro-4-methyl-1,2,3,5-tetrahydro-1-benzazepin-7-ol

4-fluoro-4-methyl-1,2,3,5-tetrahydro-1-benzazepin-7-ol (PubChem CID 84720475) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-fluoro-4-methyl-1,2,3,5-tetrahydro-1-benzazepin-7-ol.

Molecular Properties

Compound Name4-fluoro-4-methyl-1,2,3,5-tetrahydro-1-benzazepin-7-ol
PubChem CID84720475
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name4-fluoro-4-methyl-1,2,3,5-tetrahydro-1-benzazepin-7-ol
SMILESCC1(F)CCNc2ccc(O)cc2C1
InChIInChI=1S/C11H14FNO/c1-11(12)4-5-13-10-3-2-9(14)6-8(10)7-11/h2-3,6,13-14H,4-5,7H2,1H3
InChIKeyJRDWEMBIDQDJRF-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methylphosphane;1,2,3,4-tetrahydroquinolin-6-ol
CID 143733267
spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-ol
CID 105436202
2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-ol;dihydrobromide
CID 122156708
5,5-difluoro-1,2,3,4-tetrahydro-1-benzazepin-8-ol
CID 84721055
4,4-dimethyl-1,2,3,5-tetrahydro-1-benzazepine;ethane
CID 142006260
spiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]-7-ol
CID 115017855
3,3-difluoro-1,2,4,5-tetrahydro-1-benzazepin-8-ol
CID 84721063
7-bromo-5-fluoro-5-methyl-1,2,3,4-tetrahydro-1-benzazepine
CID 84729417
4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-6-ol
CID 84721057
2-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-7-ol
CID 83816771
4-fluoro-1,2,3,4-tetrahydroquinolin-6-ol
CID 84717188
1-bromo-7-hydroxy-3a-methyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one
CID 10108425

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-1,2,3,5-tetrahydro-1-benzazepin-7-ol?
The IUPAC name of 4-fluoro-4-methyl-1,2,3,5-tetrahydro-1-benzazepin-7-ol (CID 84720475) is 4-fluoro-4-methyl-1,2,3,5-tetrahydro-1-benzazepin-7-ol.
What is the SMILES notation for 4-fluoro-4-methyl-1,2,3,5-tetrahydro-1-benzazepin-7-ol?
The canonical SMILES for 4-fluoro-4-methyl-1,2,3,5-tetrahydro-1-benzazepin-7-ol is CC1(F)CCNc2ccc(O)cc2C1.
What is the InChIKey of 4-fluoro-4-methyl-1,2,3,5-tetrahydro-1-benzazepin-7-ol?
The InChIKey is JRDWEMBIDQDJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-11(12)4-5-13-10-3-2-9(14)6-8(10)7-11/h2-3,6,13-14H,4-5,7H2,1H3.
What are the key properties of 4-fluoro-4-methyl-1,2,3,5-tetrahydro-1-benzazepin-7-ol?
4-fluoro-4-methyl-1,2,3,5-tetrahydro-1-benzazepin-7-ol has a molecular weight of 195.24 g/mol, XLogP of 2.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-1,2,3,5-tetrahydro-1-benzazepin-7-ol is sourced from PubChem (CID 84720475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).