3-(trifluoromethyl)-1-benzazepin-2-one;hydrochloride

C11H7ClF3NO — CID 162326576

IUPAC3-(trifluoromethyl)-1-benzazepin-2-one;hydrochloride
SMILESCl.O=c1nc2ccccc2ccc1C(F)(F)F
InChIInChI=1S/C11H6F3NO.ClH/c12-11(13,14)8-6-5-7-3-1-2-4-9(7)15-10(8)16;/h1-6H;1H
InChIKeyMMJJRGGVSQVCRZ-UHFFFAOYSA-N
MW261.63 g/mol
LogP3.04
Rot. Bonds

About 3-(trifluoromethyl)-1-benzazepin-2-one;hydrochloride

3-(trifluoromethyl)-1-benzazepin-2-one;hydrochloride (PubChem CID 162326576) has the molecular formula C11H7ClF3NO and a molecular weight of 261.63 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1-benzazepin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethyl)-1-benzazepin-2-one;hydrochloride
PubChem CID162326576
Molecular FormulaC11H7ClF3NO
Molecular Weight261.63 g/mol
Exact Mass261.02
IUPAC Name3-(trifluoromethyl)-1-benzazepin-2-one;hydrochloride
SMILESCl.O=c1nc2ccccc2ccc1C(F)(F)F
InChIInChI=1S/C11H6F3NO.ClH/c12-11(13,14)8-6-5-7-3-1-2-4-9(7)15-10(8)16;/h1-6H;1H
InChIKeyMMJJRGGVSQVCRZ-UHFFFAOYSA-N
XLogP3.04
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.63
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzazepin-2-one
CID 20244764
Fluoro-indolone
CID 54356889
3-(Trifluoromethyl)indol-2-one
CID 19417810
3,4-Difluoro-1-benzazepin-2-one
CID 19706833
6-(Trifluoromethyl)-1-benzazepin-2-one
CID 19838419
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
4-Fluoro-2H-indol-2-one
CID 46739859

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1-benzazepin-2-one;hydrochloride?
The IUPAC name of 3-(trifluoromethyl)-1-benzazepin-2-one;hydrochloride (CID 162326576) is 3-(trifluoromethyl)-1-benzazepin-2-one;hydrochloride.
What is the SMILES notation for 3-(trifluoromethyl)-1-benzazepin-2-one;hydrochloride?
The canonical SMILES for 3-(trifluoromethyl)-1-benzazepin-2-one;hydrochloride is Cl.O=c1nc2ccccc2ccc1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)-1-benzazepin-2-one;hydrochloride?
The InChIKey is MMJJRGGVSQVCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO.ClH/c12-11(13,14)8-6-5-7-3-1-2-4-9(7)15-10(8)16;/h1-6H;1H.
What are the key properties of 3-(trifluoromethyl)-1-benzazepin-2-one;hydrochloride?
3-(trifluoromethyl)-1-benzazepin-2-one;hydrochloride has a molecular weight of 261.63 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1-benzazepin-2-one;hydrochloride is sourced from PubChem (CID 162326576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).