1-(azepan-1-yl)-2-fluoroethanone

C8H14FNO — CID 45080733

IUPAC1-(azepan-1-yl)-2-fluoroethanone
SMILESO=C(CF)N1CCCCCC1
InChIInChI=1S/C8H14FNO/c9-7-8(11)10-5-3-1-2-4-6-10/h1-7H2
InChIKeyYMZTWPHAKVEAFD-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.36
Rot. Bonds1

About 1-(azepan-1-yl)-2-fluoroethanone

1-(azepan-1-yl)-2-fluoroethanone (PubChem CID 45080733) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-fluoroethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-fluoroethanone
PubChem CID45080733
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name1-(azepan-1-yl)-2-fluoroethanone
SMILESO=C(CF)N1CCCCCC1
InChIInChI=1S/C8H14FNO/c9-7-8(11)10-5-3-1-2-4-6-10/h1-7H2
InChIKeyYMZTWPHAKVEAFD-UHFFFAOYSA-N
XLogP1.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-fluoroethanone?
The IUPAC name of 1-(azepan-1-yl)-2-fluoroethanone (CID 45080733) is 1-(azepan-1-yl)-2-fluoroethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-fluoroethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-fluoroethanone is O=C(CF)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-fluoroethanone?
The InChIKey is YMZTWPHAKVEAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c9-7-8(11)10-5-3-1-2-4-6-10/h1-7H2.
What are the key properties of 1-(azepan-1-yl)-2-fluoroethanone?
1-(azepan-1-yl)-2-fluoroethanone has a molecular weight of 159.20 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-fluoroethanone is sourced from PubChem (CID 45080733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).