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

C11H14FNO — CID 89289057

IUPAC7-fluoro-5-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESCOC1CCCNc2ccc(F)cc21
InChIInChI=1S/C11H14FNO/c1-14-11-3-2-6-13-10-5-4-8(12)7-9(10)11/h4-5,7,11,13H,2-3,6H2,1H3
InChIKeyGAQLLMBVBNZUTH-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.72
Rot. Bonds1

About 7-fluoro-5-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine

7-fluoro-5-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine (PubChem CID 89289057) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 7-fluoro-5-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine.

Molecular Properties

Compound Name7-fluoro-5-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine
PubChem CID89289057
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name7-fluoro-5-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESCOC1CCCNc2ccc(F)cc21
InChIInChI=1S/C11H14FNO/c1-14-11-3-2-6-13-10-5-4-8(12)7-9(10)11/h4-5,7,11,13H,2-3,6H2,1H3
InChIKeyGAQLLMBVBNZUTH-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine?
The IUPAC name of 7-fluoro-5-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine (CID 89289057) is 7-fluoro-5-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine.
What is the SMILES notation for 7-fluoro-5-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine?
The canonical SMILES for 7-fluoro-5-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine is COC1CCCNc2ccc(F)cc21.
What is the InChIKey of 7-fluoro-5-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine?
The InChIKey is GAQLLMBVBNZUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-14-11-3-2-6-13-10-5-4-8(12)7-9(10)11/h4-5,7,11,13H,2-3,6H2,1H3.
What are the key properties of 7-fluoro-5-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine?
7-fluoro-5-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine has a molecular weight of 195.24 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine is sourced from PubChem (CID 89289057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).