6,6-difluoroazepin-3-amine

C6H6F2N2 — CID 175192166

IUPAC6,6-difluoroazepin-3-amine
SMILESNC1=CN=CC(F)(F)C=C1
InChIInChI=1S/C6H6F2N2/c7-6(8)2-1-5(9)3-10-4-6/h1-4H,9H2
InChIKeyHJXFRDFFPGVONQ-UHFFFAOYSA-N
MW144.12 g/mol
LogP1.06
Rot. Bonds

About 6,6-difluoroazepin-3-amine

6,6-difluoroazepin-3-amine (PubChem CID 175192166) has the molecular formula C6H6F2N2 and a molecular weight of 144.12 g/mol. Its IUPAC name is 6,6-difluoroazepin-3-amine.

Molecular Properties

Compound Name6,6-difluoroazepin-3-amine
PubChem CID175192166
Molecular FormulaC6H6F2N2
Molecular Weight144.12 g/mol
Exact Mass144.05
IUPAC Name6,6-difluoroazepin-3-amine
SMILESNC1=CN=CC(F)(F)C=C1
InChIInChI=1S/C6H6F2N2/c7-6(8)2-1-5(9)3-10-4-6/h1-4H,9H2
InChIKeyHJXFRDFFPGVONQ-UHFFFAOYSA-N
XLogP1.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.12
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoroazepin-3-amine?
The IUPAC name of 6,6-difluoroazepin-3-amine (CID 175192166) is 6,6-difluoroazepin-3-amine.
What is the SMILES notation for 6,6-difluoroazepin-3-amine?
The canonical SMILES for 6,6-difluoroazepin-3-amine is NC1=CN=CC(F)(F)C=C1.
What is the InChIKey of 6,6-difluoroazepin-3-amine?
The InChIKey is HJXFRDFFPGVONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2/c7-6(8)2-1-5(9)3-10-4-6/h1-4H,9H2.
What are the key properties of 6,6-difluoroazepin-3-amine?
6,6-difluoroazepin-3-amine has a molecular weight of 144.12 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoroazepin-3-amine is sourced from PubChem (CID 175192166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).