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

C10H12FNO — CID 75480428

IUPAC7-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol
SMILESOC1CCCNc2ccc(F)cc21
InChIInChI=1S/C10H12FNO/c11-7-3-4-9-8(6-7)10(13)2-1-5-12-9/h3-4,6,10,12-13H,1-2,5H2
InChIKeyJEOGIQMESBBOQT-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.06
Rot. Bonds

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

7-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol (PubChem CID 75480428) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 7-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol.

Molecular Properties

Compound Name7-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol
PubChem CID75480428
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name7-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol
SMILESOC1CCCNc2ccc(F)cc21
InChIInChI=1S/C10H12FNO/c11-7-3-4-9-8(6-7)10(13)2-1-5-12-9/h3-4,6,10,12-13H,1-2,5H2
InChIKeyJEOGIQMESBBOQT-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-(Methylamino)phenyl)methanol
CID 295953
10-Hydroxyimipramine
CID 160545
[2-(Phenylamino)phenyl]methanol
CID 12682595
cis-Indole-2,3-dihydrodiol
CID 25200922
7-Fluoro-4-hydroxy-2-vinyl-2,3,4,5-tetrahydro-1-benzazepine
CID 139060612
1-Phenyl-2-(phenylamino)ethan-1-ol
CID 12434801
Benzenemethanol, 4-(hexadecylamino)-alpha-(trifluoromethyl)-
CID 3058193
2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol
CID 18378645
[3-(Methylamino)phenyl]methanol
CID 19434305
(1S)-1-phenyl-2-(phenylamino)ethan-1-ol
CID 39243263
(2-(Diethylamino)phenyl)methanol
CID 13021763
(3-(Ethylamino)phenyl)methanol
CID 586013

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol?
The IUPAC name of 7-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol (CID 75480428) is 7-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol.
What is the SMILES notation for 7-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol?
The canonical SMILES for 7-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol is OC1CCCNc2ccc(F)cc21.
What is the InChIKey of 7-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol?
The InChIKey is JEOGIQMESBBOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-7-3-4-9-8(6-7)10(13)2-1-5-12-9/h3-4,6,10,12-13H,1-2,5H2.
What are the key properties of 7-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol?
7-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol has a molecular weight of 181.21 g/mol, XLogP of 2.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol is sourced from PubChem (CID 75480428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).