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

C12H18FNO2 — CID 129348852

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R)-2-(fluoromethyl)morpholin-4-yl]ethanone
SMILESO=C(C[C@@H]1C=CCC1)N1CCO[C@@H](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/t10-,11+/m1/s1
InChIKeyHHXOUFYDIQDSTC-MNOVXSKESA-N
MW227.28 g/mol
LogP1.54
Rot. Bonds3

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

2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R)-2-(fluoromethyl)morpholin-4-yl]ethanone (PubChem CID 129348852) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R)-2-(fluoromethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R)-2-(fluoromethyl)morpholin-4-yl]ethanone
PubChem CID129348852
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R)-2-(fluoromethyl)morpholin-4-yl]ethanone
SMILESO=C(C[C@@H]1C=CCC1)N1CCO[C@@H](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/t10-,11+/m1/s1
InChIKeyHHXOUFYDIQDSTC-MNOVXSKESA-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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Related Compounds

Cyclohex-3-en-1-yl(morpholino)methanone
CID 12760863
(E)-2,2-difluoro-1-morpholino-3-propylhept-4-en-1-one
CID 168720242
Cyclopent-3-en-1-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 121523538
2-Cyclopent-2-en-1-yl-1-[2-(fluoromethyl)morpholin-4-yl]ethanone
CID 126794035
Cyclohex-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone
CID 126790816
2-Cyclopent-2-en-1-yl-1-[4-(fluoromethyl)piperidin-1-yl]ethanone
CID 126793923
Cyclopent-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone
CID 126794038
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone
CID 129348526
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone
CID 129348527
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(fluoromethyl)morpholin-4-yl]methanone
CID 129348843
[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(fluoromethyl)morpholin-4-yl]methanone
CID 129348844
[(1R)-cyclohex-3-en-1-yl]-[(2R)-2-(fluoromethyl)morpholin-4-yl]methanone
CID 129348845

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R)-2-(fluoromethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R)-2-(fluoromethyl)morpholin-4-yl]ethanone (CID 129348852) is 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R)-2-(fluoromethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R)-2-(fluoromethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R)-2-(fluoromethyl)morpholin-4-yl]ethanone is O=C(C[C@@H]1C=CCC1)N1CCO[C@@H](CF)C1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R)-2-(fluoromethyl)morpholin-4-yl]ethanone?
The InChIKey is HHXOUFYDIQDSTC-MNOVXSKESA-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/t10-,11+/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R)-2-(fluoromethyl)morpholin-4-yl]ethanone?
2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R)-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-[(1R)-cyclopent-2-en-1-yl]-1-[(2R)-2-(fluoromethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 129348852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).