1-(2-fluoroethyl)-1,4-diazepane

C7H15FN2 — CID 22281318

IUPAC1-(2-fluoroethyl)-1,4-diazepane
SMILESFCCN1CCCNCC1
InChIInChI=1S/C7H15FN2/c8-2-6-10-5-1-3-9-4-7-10/h9H,1-7H2
InChIKeyQZPJUPNIVVBDBF-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.25
Rot. Bonds2

About 1-(2-fluoroethyl)-1,4-diazepane

1-(2-fluoroethyl)-1,4-diazepane (PubChem CID 22281318) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(2-fluoroethyl)-1,4-diazepane
PubChem CID22281318
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name1-(2-fluoroethyl)-1,4-diazepane
SMILESFCCN1CCCNCC1
InChIInChI=1S/C7H15FN2/c8-2-6-10-5-1-3-9-4-7-10/h9H,1-7H2
InChIKeyQZPJUPNIVVBDBF-UHFFFAOYSA-N
XLogP0.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-1,4-diazepane?
The IUPAC name of 1-(2-fluoroethyl)-1,4-diazepane (CID 22281318) is 1-(2-fluoroethyl)-1,4-diazepane.
What is the SMILES notation for 1-(2-fluoroethyl)-1,4-diazepane?
The canonical SMILES for 1-(2-fluoroethyl)-1,4-diazepane is FCCN1CCCNCC1.
What is the InChIKey of 1-(2-fluoroethyl)-1,4-diazepane?
The InChIKey is QZPJUPNIVVBDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c8-2-6-10-5-1-3-9-4-7-10/h9H,1-7H2.
What are the key properties of 1-(2-fluoroethyl)-1,4-diazepane?
1-(2-fluoroethyl)-1,4-diazepane has a molecular weight of 146.21 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-1,4-diazepane is sourced from PubChem (CID 22281318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).