7-bromo-5,5-difluoro-1,2,3,4-tetrahydro-3-benzazepine

C10H10BrF2N — CID 84729619

IUPAC7-bromo-5,5-difluoro-1,2,3,4-tetrahydro-3-benzazepine
SMILESFC1(F)CNCCc2ccc(Br)cc21
InChIInChI=1S/C10H10BrF2N/c11-8-2-1-7-3-4-14-6-10(12,13)9(7)5-8/h1-2,5,14H,3-4,6H2
InChIKeyGNKSXVHSHZFFBS-UHFFFAOYSA-N
MW262.10 g/mol
LogP2.69
Rot. Bonds

About 7-bromo-5,5-difluoro-1,2,3,4-tetrahydro-3-benzazepine

7-bromo-5,5-difluoro-1,2,3,4-tetrahydro-3-benzazepine (PubChem CID 84729619) has the molecular formula C10H10BrF2N and a molecular weight of 262.10 g/mol. Its IUPAC name is 7-bromo-5,5-difluoro-1,2,3,4-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name7-bromo-5,5-difluoro-1,2,3,4-tetrahydro-3-benzazepine
PubChem CID84729619
Molecular FormulaC10H10BrF2N
Molecular Weight262.10 g/mol
Exact Mass261.00
IUPAC Name7-bromo-5,5-difluoro-1,2,3,4-tetrahydro-3-benzazepine
SMILESFC1(F)CNCCc2ccc(Br)cc21
InChIInChI=1S/C10H10BrF2N/c11-8-2-1-7-3-4-14-6-10(12,13)9(7)5-8/h1-2,5,14H,3-4,6H2
InChIKeyGNKSXVHSHZFFBS-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5,5-difluoro-1,2,3,4-tetrahydro-3-benzazepine?
The IUPAC name of 7-bromo-5,5-difluoro-1,2,3,4-tetrahydro-3-benzazepine (CID 84729619) is 7-bromo-5,5-difluoro-1,2,3,4-tetrahydro-3-benzazepine.
What is the SMILES notation for 7-bromo-5,5-difluoro-1,2,3,4-tetrahydro-3-benzazepine?
The canonical SMILES for 7-bromo-5,5-difluoro-1,2,3,4-tetrahydro-3-benzazepine is FC1(F)CNCCc2ccc(Br)cc21.
What is the InChIKey of 7-bromo-5,5-difluoro-1,2,3,4-tetrahydro-3-benzazepine?
The InChIKey is GNKSXVHSHZFFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N/c11-8-2-1-7-3-4-14-6-10(12,13)9(7)5-8/h1-2,5,14H,3-4,6H2.
What are the key properties of 7-bromo-5,5-difluoro-1,2,3,4-tetrahydro-3-benzazepine?
7-bromo-5,5-difluoro-1,2,3,4-tetrahydro-3-benzazepine has a molecular weight of 262.10 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5,5-difluoro-1,2,3,4-tetrahydro-3-benzazepine is sourced from PubChem (CID 84729619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).