6-chloro-5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine

C10H11ClFN — CID 84721189

IUPAC6-chloro-5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESFC1CCNCc2cccc(Cl)c21
InChIInChI=1S/C10H11ClFN/c11-8-3-1-2-7-6-13-5-4-9(12)10(7)8/h1-3,9,13H,4-6H2
InChIKeyCWJXAOPZPODXSW-UHFFFAOYSA-N
MW199.66 g/mol
LogP2.84
Rot. Bonds

About 6-chloro-5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine

6-chloro-5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 84721189) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is 6-chloro-5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name6-chloro-5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID84721189
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name6-chloro-5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESFC1CCNCc2cccc(Cl)c21
InChIInChI=1S/C10H11ClFN/c11-8-3-1-2-7-6-13-5-4-9(12)10(7)8/h1-3,9,13H,4-6H2
InChIKeyCWJXAOPZPODXSW-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 6-chloro-5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 84721189) is 6-chloro-5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 6-chloro-5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 6-chloro-5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine is FC1CCNCc2cccc(Cl)c21.
What is the InChIKey of 6-chloro-5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is CWJXAOPZPODXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN/c11-8-3-1-2-7-6-13-5-4-9(12)10(7)8/h1-3,9,13H,4-6H2.
What are the key properties of 6-chloro-5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine?
6-chloro-5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 199.66 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 84721189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).