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

C11H16FNO2 — CID 126794038

IUPACcyclopent-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone
SMILESO=C(C1CC=CC1)N1CCOC(CF)C1
InChIInChI=1S/C11H16FNO2/c12-7-10-8-13(5-6-15-10)11(14)9-3-1-2-4-9/h1-2,9-10H,3-8H2
InChIKeyVVKZQQSIZWKUHR-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.15
Rot. Bonds2

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

cyclopent-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone (PubChem CID 126794038) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone
PubChem CID126794038
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Namecyclopent-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone
SMILESO=C(C1CC=CC1)N1CCOC(CF)C1
InChIInChI=1S/C11H16FNO2/c12-7-10-8-13(5-6-15-10)11(14)9-3-1-2-4-9/h1-2,9-10H,3-8H2
InChIKeyVVKZQQSIZWKUHR-UHFFFAOYSA-N
XLogP1.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.15
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 cyclopent-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone (CID 126794038) is cyclopent-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone is O=C(C1CC=CC1)N1CCOC(CF)C1.
What is the InChIKey of cyclopent-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone?
The InChIKey is VVKZQQSIZWKUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c12-7-10-8-13(5-6-15-10)11(14)9-3-1-2-4-9/h1-2,9-10H,3-8H2.
What are the key properties of cyclopent-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone?
cyclopent-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone has a molecular weight of 213.25 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 126794038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).