6-fluoro-1H-azepin-4-amine

C6H7FN2 — CID 68716508

IUPAC6-fluoro-1H-azepin-4-amine
SMILESNC1=CC(F)=CNC=C1
InChIInChI=1S/C6H7FN2/c7-5-3-6(8)1-2-9-4-5/h1-4,9H,8H2
InChIKeyVUOOUMXXVDPAKE-UHFFFAOYSA-N
MW126.13 g/mol
LogP0.76
Rot. Bonds

About 6-fluoro-1H-azepin-4-amine

6-fluoro-1H-azepin-4-amine (PubChem CID 68716508) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is 6-fluoro-1H-azepin-4-amine.

Molecular Properties

Compound Name6-fluoro-1H-azepin-4-amine
PubChem CID68716508
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name6-fluoro-1H-azepin-4-amine
SMILESNC1=CC(F)=CNC=C1
InChIInChI=1S/C6H7FN2/c7-5-3-6(8)1-2-9-4-5/h1-4,9H,8H2
InChIKeyVUOOUMXXVDPAKE-UHFFFAOYSA-N
XLogP0.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1H-azepin-4-amine?
The IUPAC name of 6-fluoro-1H-azepin-4-amine (CID 68716508) is 6-fluoro-1H-azepin-4-amine.
What is the SMILES notation for 6-fluoro-1H-azepin-4-amine?
The canonical SMILES for 6-fluoro-1H-azepin-4-amine is NC1=CC(F)=CNC=C1.
What is the InChIKey of 6-fluoro-1H-azepin-4-amine?
The InChIKey is VUOOUMXXVDPAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2/c7-5-3-6(8)1-2-9-4-5/h1-4,9H,8H2.
What are the key properties of 6-fluoro-1H-azepin-4-amine?
6-fluoro-1H-azepin-4-amine has a molecular weight of 126.13 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1H-azepin-4-amine is sourced from PubChem (CID 68716508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).