3-(trifluoromethyl)-7H-1-benzazepine

C11H8F3N — CID 150200119

IUPAC3-(trifluoromethyl)-7H-1-benzazepine
SMILESFC(F)(F)C1=CN=C2C=CCC=C2C=C1
InChIInChI=1S/C11H8F3N/c12-11(13,14)9-6-5-8-3-1-2-4-10(8)15-7-9/h2-7H,1H2
InChIKeyFPHDSNVUOCXSJZ-UHFFFAOYSA-N
MW211.19 g/mol
LogP3.33
Rot. Bonds

About 3-(trifluoromethyl)-7H-1-benzazepine

3-(trifluoromethyl)-7H-1-benzazepine (PubChem CID 150200119) has the molecular formula C11H8F3N and a molecular weight of 211.19 g/mol. Its IUPAC name is 3-(trifluoromethyl)-7H-1-benzazepine.

Molecular Properties

Compound Name3-(trifluoromethyl)-7H-1-benzazepine
PubChem CID150200119
Molecular FormulaC11H8F3N
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name3-(trifluoromethyl)-7H-1-benzazepine
SMILESFC(F)(F)C1=CN=C2C=CCC=C2C=C1
InChIInChI=1S/C11H8F3N/c12-11(13,14)9-6-5-8-3-1-2-4-10(8)15-7-9/h2-7H,1H2
InChIKeyFPHDSNVUOCXSJZ-UHFFFAOYSA-N
XLogP3.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-7H-1-benzazepine?
The IUPAC name of 3-(trifluoromethyl)-7H-1-benzazepine (CID 150200119) is 3-(trifluoromethyl)-7H-1-benzazepine.
What is the SMILES notation for 3-(trifluoromethyl)-7H-1-benzazepine?
The canonical SMILES for 3-(trifluoromethyl)-7H-1-benzazepine is FC(F)(F)C1=CN=C2C=CCC=C2C=C1.
What is the InChIKey of 3-(trifluoromethyl)-7H-1-benzazepine?
The InChIKey is FPHDSNVUOCXSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N/c12-11(13,14)9-6-5-8-3-1-2-4-10(8)15-7-9/h2-7H,1H2.
What are the key properties of 3-(trifluoromethyl)-7H-1-benzazepine?
3-(trifluoromethyl)-7H-1-benzazepine has a molecular weight of 211.19 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-7H-1-benzazepine is sourced from PubChem (CID 150200119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).