5,9-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine

C10H11F2N — CID 84718717

IUPAC5,9-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESFc1cccc2c1NCCCC2F
InChIInChI=1S/C10H11F2N/c11-8-5-2-6-13-10-7(8)3-1-4-9(10)12/h1,3-4,8,13H,2,5-6H2
InChIKeyBFTIWSROZSNKIB-UHFFFAOYSA-N
MW183.20 g/mol
LogP3.04
Rot. Bonds

About 5,9-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine

5,9-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine (PubChem CID 84718717) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 5,9-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine.

Molecular Properties

Compound Name5,9-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine
PubChem CID84718717
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name5,9-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESFc1cccc2c1NCCCC2F
InChIInChI=1S/C10H11F2N/c11-8-5-2-6-13-10-7(8)3-1-4-9(10)12/h1,3-4,8,13H,2,5-6H2
InChIKeyBFTIWSROZSNKIB-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,9-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine?
The IUPAC name of 5,9-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine (CID 84718717) is 5,9-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine.
What is the SMILES notation for 5,9-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine?
The canonical SMILES for 5,9-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine is Fc1cccc2c1NCCCC2F.
What is the InChIKey of 5,9-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine?
The InChIKey is BFTIWSROZSNKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c11-8-5-2-6-13-10-7(8)3-1-4-9(10)12/h1,3-4,8,13H,2,5-6H2.
What are the key properties of 5,9-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine?
5,9-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine has a molecular weight of 183.20 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine is sourced from PubChem (CID 84718717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).