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

C12H18FNO2 — CID 126790816

IUPACcyclohex-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCOC(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
InChIKeyASIPOLHBJKBJAI-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.54
Rot. Bonds2

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

cyclohex-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone (PubChem CID 126790816) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone
PubChem CID126790816
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Namecyclohex-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCOC(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
InChIKeyASIPOLHBJKBJAI-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone (CID 126790816) is cyclohex-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone is O=C(C1CC=CCC1)N1CCOC(CF)C1.
What is the InChIKey of cyclohex-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone?
The InChIKey is ASIPOLHBJKBJAI-UHFFFAOYSA-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.
What are the key properties of cyclohex-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone?
cyclohex-3-en-1-yl-[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 cyclohex-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 126790816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).