3,3,4-trifluoro-4H-1-benzazepin-2-one

C10H6F3NO — CID 170786805

IUPAC3,3,4-trifluoro-4H-1-benzazepin-2-one
SMILESO=C1N=c2ccccc2=CC(F)C1(F)F
InChIInChI=1S/C10H6F3NO/c11-8-5-6-3-1-2-4-7(6)14-9(15)10(8,12)13/h1-5,8H
InChIKeyAXSMLEWDEMWKBX-UHFFFAOYSA-N
MW213.16 g/mol
LogP0.60
Rot. Bonds

About 3,3,4-trifluoro-4H-1-benzazepin-2-one

3,3,4-trifluoro-4H-1-benzazepin-2-one (PubChem CID 170786805) has the molecular formula C10H6F3NO and a molecular weight of 213.16 g/mol. Its IUPAC name is 3,3,4-trifluoro-4H-1-benzazepin-2-one.

Molecular Properties

Compound Name3,3,4-trifluoro-4H-1-benzazepin-2-one
PubChem CID170786805
Molecular FormulaC10H6F3NO
Molecular Weight213.16 g/mol
Exact Mass213.04
IUPAC Name3,3,4-trifluoro-4H-1-benzazepin-2-one
SMILESO=C1N=c2ccccc2=CC(F)C1(F)F
InChIInChI=1S/C10H6F3NO/c11-8-5-6-3-1-2-4-7(6)14-9(15)10(8,12)13/h1-5,8H
InChIKeyAXSMLEWDEMWKBX-UHFFFAOYSA-N
XLogP0.60
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 19417810
3,4-Difluoro-1-benzazepin-2-one
CID 19706833
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CID 19771752
6-(Trifluoromethyl)-1-benzazepin-2-one
CID 19838419
3-Ethyl-6-(trifluoromethyl)-1-benzazepin-2-one
CID 21572534
3-(Trifluoromethyl)-1-benzazepin-2-one
CID 21645863
3,4-Dihydro-8-fluoro-7-methyl-2-oxo-1-benzazepine
CID 22101951
3-(Trifluoromethyl)-1,4-benzodiazepin-2-one
CID 53860837
4-(Trifluoromethyl)-1,3-benzodiazepin-2-one
CID 54153964
3,5-Bis(1-fluoroprop-2-enyl)-1,4-benzodiazepin-2-one
CID 68315362
3,5-Bis(3-fluoroprop-2-enyl)-1,4-benzodiazepin-2-one
CID 68315363
5-Fluoro-3-prop-2-enyl-1,4-benzodiazepin-2-one
CID 90083620

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trifluoro-4H-1-benzazepin-2-one?
The IUPAC name of 3,3,4-trifluoro-4H-1-benzazepin-2-one (CID 170786805) is 3,3,4-trifluoro-4H-1-benzazepin-2-one.
What is the SMILES notation for 3,3,4-trifluoro-4H-1-benzazepin-2-one?
The canonical SMILES for 3,3,4-trifluoro-4H-1-benzazepin-2-one is O=C1N=c2ccccc2=CC(F)C1(F)F.
What is the InChIKey of 3,3,4-trifluoro-4H-1-benzazepin-2-one?
The InChIKey is AXSMLEWDEMWKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO/c11-8-5-6-3-1-2-4-7(6)14-9(15)10(8,12)13/h1-5,8H.
What are the key properties of 3,3,4-trifluoro-4H-1-benzazepin-2-one?
3,3,4-trifluoro-4H-1-benzazepin-2-one has a molecular weight of 213.16 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trifluoro-4H-1-benzazepin-2-one is sourced from PubChem (CID 170786805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).