2-fluoro-N-methyl-3H-azepin-6-amine

C7H9FN2 — CID 143124223

IUPAC2-fluoro-N-methyl-3H-azepin-6-amine
SMILESCNC1=CN=C(F)CC=C1
InChIInChI=1S/C7H9FN2/c1-9-6-3-2-4-7(8)10-5-6/h2-3,5,9H,4H2,1H3
InChIKeyVAESVATYSHLVJN-UHFFFAOYSA-N
MW140.16 g/mol
LogP1.38
Rot. Bonds1

About 2-fluoro-N-methyl-3H-azepin-6-amine

2-fluoro-N-methyl-3H-azepin-6-amine (PubChem CID 143124223) has the molecular formula C7H9FN2 and a molecular weight of 140.16 g/mol. Its IUPAC name is 2-fluoro-N-methyl-3H-azepin-6-amine.

Molecular Properties

Compound Name2-fluoro-N-methyl-3H-azepin-6-amine
PubChem CID143124223
Molecular FormulaC7H9FN2
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name2-fluoro-N-methyl-3H-azepin-6-amine
SMILESCNC1=CN=C(F)CC=C1
InChIInChI=1S/C7H9FN2/c1-9-6-3-2-4-7(8)10-5-6/h2-3,5,9H,4H2,1H3
InChIKeyVAESVATYSHLVJN-UHFFFAOYSA-N
XLogP1.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-3H-azepin-6-amine?
The IUPAC name of 2-fluoro-N-methyl-3H-azepin-6-amine (CID 143124223) is 2-fluoro-N-methyl-3H-azepin-6-amine.
What is the SMILES notation for 2-fluoro-N-methyl-3H-azepin-6-amine?
The canonical SMILES for 2-fluoro-N-methyl-3H-azepin-6-amine is CNC1=CN=C(F)CC=C1.
What is the InChIKey of 2-fluoro-N-methyl-3H-azepin-6-amine?
The InChIKey is VAESVATYSHLVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2/c1-9-6-3-2-4-7(8)10-5-6/h2-3,5,9H,4H2,1H3.
What are the key properties of 2-fluoro-N-methyl-3H-azepin-6-amine?
2-fluoro-N-methyl-3H-azepin-6-amine has a molecular weight of 140.16 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-3H-azepin-6-amine is sourced from PubChem (CID 143124223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).