[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(fluoromethyl)morpholin-4-yl]methanone

C12H18FNO2 — CID 129348843

IUPAC[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(fluoromethyl)morpholin-4-yl]methanone
SMILESO=C([C@@H]1CC=CCC1)N1CCO[C@H](CF)C1
InChIInChI=1S/C12H18FNO2/c13-8-11-9-14(6-7-16-11)12(15)10-4-2-1-3-5-10/h1-2,10-11H,3-9H2/t10-,11-/m1/s1
InChIKeyASIPOLHBJKBJAI-GHMZBOCLSA-N
MW227.28 g/mol
LogP1.54
Rot. Bonds2

About [(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(fluoromethyl)morpholin-4-yl]methanone

[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(fluoromethyl)morpholin-4-yl]methanone (PubChem CID 129348843) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is [(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(fluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(fluoromethyl)morpholin-4-yl]methanone
PubChem CID129348843
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(fluoromethyl)morpholin-4-yl]methanone
SMILESO=C([C@@H]1CC=CCC1)N1CCO[C@H](CF)C1
InChIInChI=1S/C12H18FNO2/c13-8-11-9-14(6-7-16-11)12(15)10-4-2-1-3-5-10/h1-2,10-11H,3-9H2/t10-,11-/m1/s1
InChIKeyASIPOLHBJKBJAI-GHMZBOCLSA-N
XLogP1.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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
N-(cyclohex-3-en-1-ylmethyl)-N-methyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 119034657
2-Cyclopent-2-en-1-yl-1-[2-(fluoromethyl)morpholin-4-yl]ethanone
CID 126794035
(1R,6S)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 99831301
(1S,6S)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 99831302
(1R,6R)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 99831303
(1S,6R)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 99831304
N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 121516369
Cyclohex-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone
CID 126790816
Cyclopent-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone
CID 126794038
[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(fluoromethyl)morpholin-4-yl]methanone
CID 129348844

Frequently Asked Questions

What is the IUPAC name of [(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(fluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of [(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(fluoromethyl)morpholin-4-yl]methanone (CID 129348843) is [(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(fluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(fluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for [(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(fluoromethyl)morpholin-4-yl]methanone is O=C([C@@H]1CC=CCC1)N1CCO[C@H](CF)C1.
What is the InChIKey of [(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(fluoromethyl)morpholin-4-yl]methanone?
The InChIKey is ASIPOLHBJKBJAI-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H18FNO2/c13-8-11-9-14(6-7-16-11)12(15)10-4-2-1-3-5-10/h1-2,10-11H,3-9H2/t10-,11-/m1/s1.
What are the key properties of [(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(fluoromethyl)morpholin-4-yl]methanone?
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(fluoromethyl)morpholin-4-yl]methanone has a molecular weight of 227.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(fluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 129348843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).