4,4-difluoro-1-benzazepine

C10H7F2N — CID 70291399

IUPAC4,4-difluoro-1-benzazepine
SMILESFC1(F)C=CN=c2ccccc2=C1
InChIInChI=1S/C10H7F2N/c11-10(12)5-6-13-9-4-2-1-3-8(9)7-10/h1-7H
InChIKeySUXKZXDCWCRNAJ-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.25
Rot. Bonds

About 4,4-difluoro-1-benzazepine

4,4-difluoro-1-benzazepine (PubChem CID 70291399) has the molecular formula C10H7F2N and a molecular weight of 179.17 g/mol. Its IUPAC name is 4,4-difluoro-1-benzazepine.

Molecular Properties

Compound Name4,4-difluoro-1-benzazepine
PubChem CID70291399
Molecular FormulaC10H7F2N
Molecular Weight179.17 g/mol
Exact Mass179.05
IUPAC Name4,4-difluoro-1-benzazepine
SMILESFC1(F)C=CN=c2ccccc2=C1
InChIInChI=1S/C10H7F2N/c11-10(12)5-6-13-9-4-2-1-3-8(9)7-10/h1-7H
InChIKeySUXKZXDCWCRNAJ-UHFFFAOYSA-N
XLogP1.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-benzazepine?
The IUPAC name of 4,4-difluoro-1-benzazepine (CID 70291399) is 4,4-difluoro-1-benzazepine.
What is the SMILES notation for 4,4-difluoro-1-benzazepine?
The canonical SMILES for 4,4-difluoro-1-benzazepine is FC1(F)C=CN=c2ccccc2=C1.
What is the InChIKey of 4,4-difluoro-1-benzazepine?
The InChIKey is SUXKZXDCWCRNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N/c11-10(12)5-6-13-9-4-2-1-3-8(9)7-10/h1-7H.
What are the key properties of 4,4-difluoro-1-benzazepine?
4,4-difluoro-1-benzazepine has a molecular weight of 179.17 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-benzazepine is sourced from PubChem (CID 70291399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).