2-cyclopent-2-en-1-yl-1-[2-(fluoromethyl)morpholin-4-yl]ethanone

C12H18FNO2 — CID 126794035

IUPAC2-cyclopent-2-en-1-yl-1-[2-(fluoromethyl)morpholin-4-yl]ethanone
SMILESO=C(CC1C=CCC1)N1CCOC(CF)C1
InChIInChI=1S/C12H18FNO2/c13-8-11-9-14(5-6-16-11)12(15)7-10-3-1-2-4-10/h1,3,10-11H,2,4-9H2
InChIKeyHHXOUFYDIQDSTC-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.54
Rot. Bonds3

About 2-cyclopent-2-en-1-yl-1-[2-(fluoromethyl)morpholin-4-yl]ethanone

2-cyclopent-2-en-1-yl-1-[2-(fluoromethyl)morpholin-4-yl]ethanone (PubChem CID 126794035) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-1-[2-(fluoromethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-1-[2-(fluoromethyl)morpholin-4-yl]ethanone
PubChem CID126794035
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name2-cyclopent-2-en-1-yl-1-[2-(fluoromethyl)morpholin-4-yl]ethanone
SMILESO=C(CC1C=CCC1)N1CCOC(CF)C1
InChIInChI=1S/C12H18FNO2/c13-8-11-9-14(5-6-16-11)12(15)7-10-3-1-2-4-10/h1,3,10-11H,2,4-9H2
InChIKeyHHXOUFYDIQDSTC-UHFFFAOYSA-N
XLogP1.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-1-[2-(fluoromethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-cyclopent-2-en-1-yl-1-[2-(fluoromethyl)morpholin-4-yl]ethanone (CID 126794035) is 2-cyclopent-2-en-1-yl-1-[2-(fluoromethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-1-[2-(fluoromethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-cyclopent-2-en-1-yl-1-[2-(fluoromethyl)morpholin-4-yl]ethanone is O=C(CC1C=CCC1)N1CCOC(CF)C1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-1-[2-(fluoromethyl)morpholin-4-yl]ethanone?
The InChIKey is HHXOUFYDIQDSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c13-8-11-9-14(5-6-16-11)12(15)7-10-3-1-2-4-10/h1,3,10-11H,2,4-9H2.
What are the key properties of 2-cyclopent-2-en-1-yl-1-[2-(fluoromethyl)morpholin-4-yl]ethanone?
2-cyclopent-2-en-1-yl-1-[2-(fluoromethyl)morpholin-4-yl]ethanone has a molecular weight of 227.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-1-[2-(fluoromethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 126794035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).