6-(trifluoromethyl)-1-benzazepin-2-one

C11H6F3NO — CID 19838419

IUPAC6-(trifluoromethyl)-1-benzazepin-2-one
SMILESO=c1cccc2c(C(F)(F)F)cccc2n1
InChIInChI=1S/C11H6F3NO/c12-11(13,14)8-4-2-5-9-7(8)3-1-6-10(16)15-9/h1-6H
InChIKeyLFLYYIIXPVNSRH-UHFFFAOYSA-N
MW225.17 g/mol
LogP2.61
Rot. Bonds

About 6-(trifluoromethyl)-1-benzazepin-2-one

6-(trifluoromethyl)-1-benzazepin-2-one (PubChem CID 19838419) has the molecular formula C11H6F3NO and a molecular weight of 225.17 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1-benzazepin-2-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-1-benzazepin-2-one
PubChem CID19838419
Molecular FormulaC11H6F3NO
Molecular Weight225.17 g/mol
Exact Mass225.04
IUPAC Name6-(trifluoromethyl)-1-benzazepin-2-one
SMILESO=c1cccc2c(C(F)(F)F)cccc2n1
InChIInChI=1S/C11H6F3NO/c12-11(13,14)8-4-2-5-9-7(8)3-1-6-10(16)15-9/h1-6H
InChIKeyLFLYYIIXPVNSRH-UHFFFAOYSA-N
XLogP2.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzazepin-2-one
CID 20244764
Fluoro-indolone
CID 54356889
Benzazoninone
CID 20269004
Cyclopenta-(b)-pyridinone
CID 129707027
3-(Trifluoromethyl)indol-2-one
CID 19417810
3,4-Difluoro-1-benzazepin-2-one
CID 19706833
6-(Fluoromethyl)indol-2-one
CID 20284781
3-Ethyl-6-(trifluoromethyl)-1-benzazepin-2-one
CID 21572534
3-(Trifluoromethyl)-1-benzazepin-2-one
CID 21645863
6-Fluoroindol-2-one
CID 45108281
6-(Trifluoromethyl)indol-2-one
CID 46173012
5-Fluoro-2-oxo-indole
CID 46739847

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1-benzazepin-2-one?
The IUPAC name of 6-(trifluoromethyl)-1-benzazepin-2-one (CID 19838419) is 6-(trifluoromethyl)-1-benzazepin-2-one.
What is the SMILES notation for 6-(trifluoromethyl)-1-benzazepin-2-one?
The canonical SMILES for 6-(trifluoromethyl)-1-benzazepin-2-one is O=c1cccc2c(C(F)(F)F)cccc2n1.
What is the InChIKey of 6-(trifluoromethyl)-1-benzazepin-2-one?
The InChIKey is LFLYYIIXPVNSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO/c12-11(13,14)8-4-2-5-9-7(8)3-1-6-10(16)15-9/h1-6H.
What are the key properties of 6-(trifluoromethyl)-1-benzazepin-2-one?
6-(trifluoromethyl)-1-benzazepin-2-one has a molecular weight of 225.17 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1-benzazepin-2-one is sourced from PubChem (CID 19838419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).