7-(fluoromethyl)-5-methyl-4H-azepin-3-amine

C8H11FN2 — CID 89142766

IUPAC7-(fluoromethyl)-5-methyl-4H-azepin-3-amine
SMILESCC1=CC(CF)=NC=C(N)C1
InChIInChI=1S/C8H11FN2/c1-6-2-7(10)5-11-8(3-6)4-9/h3,5H,2,4,10H2,1H3
InChIKeyONGKYYMXJPUIRX-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.55
Rot. Bonds1

About 7-(fluoromethyl)-5-methyl-4H-azepin-3-amine

7-(fluoromethyl)-5-methyl-4H-azepin-3-amine (PubChem CID 89142766) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 7-(fluoromethyl)-5-methyl-4H-azepin-3-amine.

Molecular Properties

Compound Name7-(fluoromethyl)-5-methyl-4H-azepin-3-amine
PubChem CID89142766
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name7-(fluoromethyl)-5-methyl-4H-azepin-3-amine
SMILESCC1=CC(CF)=NC=C(N)C1
InChIInChI=1S/C8H11FN2/c1-6-2-7(10)5-11-8(3-6)4-9/h3,5H,2,4,10H2,1H3
InChIKeyONGKYYMXJPUIRX-UHFFFAOYSA-N
XLogP1.55
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(fluoromethyl)-5-methyl-4H-azepin-3-amine?
The IUPAC name of 7-(fluoromethyl)-5-methyl-4H-azepin-3-amine (CID 89142766) is 7-(fluoromethyl)-5-methyl-4H-azepin-3-amine.
What is the SMILES notation for 7-(fluoromethyl)-5-methyl-4H-azepin-3-amine?
The canonical SMILES for 7-(fluoromethyl)-5-methyl-4H-azepin-3-amine is CC1=CC(CF)=NC=C(N)C1.
What is the InChIKey of 7-(fluoromethyl)-5-methyl-4H-azepin-3-amine?
The InChIKey is ONGKYYMXJPUIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-6-2-7(10)5-11-8(3-6)4-9/h3,5H,2,4,10H2,1H3.
What are the key properties of 7-(fluoromethyl)-5-methyl-4H-azepin-3-amine?
7-(fluoromethyl)-5-methyl-4H-azepin-3-amine has a molecular weight of 154.19 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(fluoromethyl)-5-methyl-4H-azepin-3-amine is sourced from PubChem (CID 89142766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).