4-fluoro-1,2,4,5-tetrahydro-2-benzazepin-3-one

C10H10FNO — CID 42614788

IUPAC4-fluoro-1,2,4,5-tetrahydro-2-benzazepin-3-one
SMILESO=C1NCc2ccccc2CC1F
InChIInChI=1S/C10H10FNO/c11-9-5-7-3-1-2-4-8(7)6-12-10(9)13/h1-4,9H,5-6H2,(H,12,13)
InChIKeyRSQRSDOZOCKJDS-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.20
Rot. Bonds

About 4-fluoro-1,2,4,5-tetrahydro-2-benzazepin-3-one

4-fluoro-1,2,4,5-tetrahydro-2-benzazepin-3-one (PubChem CID 42614788) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 4-fluoro-1,2,4,5-tetrahydro-2-benzazepin-3-one.

Molecular Properties

Compound Name4-fluoro-1,2,4,5-tetrahydro-2-benzazepin-3-one
PubChem CID42614788
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name4-fluoro-1,2,4,5-tetrahydro-2-benzazepin-3-one
SMILESO=C1NCc2ccccc2CC1F
InChIInChI=1S/C10H10FNO/c11-9-5-7-3-1-2-4-8(7)6-12-10(9)13/h1-4,9H,5-6H2,(H,12,13)
InChIKeyRSQRSDOZOCKJDS-UHFFFAOYSA-N
XLogP1.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,2,4,5-tetrahydro-2-benzazepin-3-one?
The IUPAC name of 4-fluoro-1,2,4,5-tetrahydro-2-benzazepin-3-one (CID 42614788) is 4-fluoro-1,2,4,5-tetrahydro-2-benzazepin-3-one.
What is the SMILES notation for 4-fluoro-1,2,4,5-tetrahydro-2-benzazepin-3-one?
The canonical SMILES for 4-fluoro-1,2,4,5-tetrahydro-2-benzazepin-3-one is O=C1NCc2ccccc2CC1F.
What is the InChIKey of 4-fluoro-1,2,4,5-tetrahydro-2-benzazepin-3-one?
The InChIKey is RSQRSDOZOCKJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-9-5-7-3-1-2-4-8(7)6-12-10(9)13/h1-4,9H,5-6H2,(H,12,13).
What are the key properties of 4-fluoro-1,2,4,5-tetrahydro-2-benzazepin-3-one?
4-fluoro-1,2,4,5-tetrahydro-2-benzazepin-3-one has a molecular weight of 179.19 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,2,4,5-tetrahydro-2-benzazepin-3-one is sourced from PubChem (CID 42614788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).