azepan-1-yl-(3-fluorophenyl)methanone

C13H16FNO — CID 3848726

IUPACazepan-1-yl-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCCCCC1
InChIInChI=1S/C13H16FNO/c14-12-7-5-6-11(10-12)13(16)15-8-3-1-2-4-9-15/h5-7,10H,1-4,8-9H2
InChIKeyWXKIKIHQHWQYBW-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.84
Rot. Bonds1

About azepan-1-yl-(3-fluorophenyl)methanone

azepan-1-yl-(3-fluorophenyl)methanone (PubChem CID 3848726) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is azepan-1-yl-(3-fluorophenyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(3-fluorophenyl)methanone
PubChem CID3848726
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Nameazepan-1-yl-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCCCCC1
InChIInChI=1S/C13H16FNO/c14-12-7-5-6-11(10-12)13(16)15-8-3-1-2-4-9-15/h5-7,10H,1-4,8-9H2
InChIKeyWXKIKIHQHWQYBW-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(3-fluorophenyl)methanone?
The IUPAC name of azepan-1-yl-(3-fluorophenyl)methanone (CID 3848726) is azepan-1-yl-(3-fluorophenyl)methanone.
What is the SMILES notation for azepan-1-yl-(3-fluorophenyl)methanone?
The canonical SMILES for azepan-1-yl-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(3-fluorophenyl)methanone?
The InChIKey is WXKIKIHQHWQYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-12-7-5-6-11(10-12)13(16)15-8-3-1-2-4-9-15/h5-7,10H,1-4,8-9H2.
What are the key properties of azepan-1-yl-(3-fluorophenyl)methanone?
azepan-1-yl-(3-fluorophenyl)methanone has a molecular weight of 221.28 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(3-fluorophenyl)methanone is sourced from PubChem (CID 3848726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).