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

C11H8F3N — CID 150911750

IUPAC2-(trifluoromethyl)-7H-1-benzazepine
SMILESFC(F)(F)C1=CC=CC2=CCC=CC2=N1
InChIInChI=1S/C11H8F3N/c12-11(13,14)10-7-3-5-8-4-1-2-6-9(8)15-10/h2-7H,1H2
InChIKeyLCDFTTXAYMWIAK-UHFFFAOYSA-N
MW211.19 g/mol
LogP3.33
Rot. Bonds

About 2-(trifluoromethyl)-7H-1-benzazepine

2-(trifluoromethyl)-7H-1-benzazepine (PubChem CID 150911750) has the molecular formula C11H8F3N and a molecular weight of 211.19 g/mol. Its IUPAC name is 2-(trifluoromethyl)-7H-1-benzazepine.

Molecular Properties

Compound Name2-(trifluoromethyl)-7H-1-benzazepine
PubChem CID150911750
Molecular FormulaC11H8F3N
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name2-(trifluoromethyl)-7H-1-benzazepine
SMILESFC(F)(F)C1=CC=CC2=CCC=CC2=N1
InChIInChI=1S/C11H8F3N/c12-11(13,14)10-7-3-5-8-4-1-2-6-9(8)15-10/h2-7H,1H2
InChIKeyLCDFTTXAYMWIAK-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 2-(trifluoromethyl)-7H-1-benzazepine?
The IUPAC name of 2-(trifluoromethyl)-7H-1-benzazepine (CID 150911750) is 2-(trifluoromethyl)-7H-1-benzazepine.
What is the SMILES notation for 2-(trifluoromethyl)-7H-1-benzazepine?
The canonical SMILES for 2-(trifluoromethyl)-7H-1-benzazepine is FC(F)(F)C1=CC=CC2=CCC=CC2=N1.
What is the InChIKey of 2-(trifluoromethyl)-7H-1-benzazepine?
The InChIKey is LCDFTTXAYMWIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N/c12-11(13,14)10-7-3-5-8-4-1-2-6-9(8)15-10/h2-7H,1H2.
What are the key properties of 2-(trifluoromethyl)-7H-1-benzazepine?
2-(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 2-(trifluoromethyl)-7H-1-benzazepine is sourced from PubChem (CID 150911750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).