N-(2-fluorooxan-3-yl)cyclohex-3-ene-1-carboxamide

C12H18FNO2 — CID 126857050

IUPACN-(2-fluorooxan-3-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1CCCOC1F)C1CC=CCC1
InChIInChI=1S/C12H18FNO2/c13-11-10(7-4-8-16-11)14-12(15)9-5-2-1-3-6-9/h1-2,9-11H,3-8H2,(H,14,15)
InChIKeyBISQDCWQPJEQCY-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.93
Rot. Bonds2

About N-(2-fluorooxan-3-yl)cyclohex-3-ene-1-carboxamide

N-(2-fluorooxan-3-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 126857050) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(2-fluorooxan-3-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorooxan-3-yl)cyclohex-3-ene-1-carboxamide
PubChem CID126857050
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC NameN-(2-fluorooxan-3-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1CCCOC1F)C1CC=CCC1
InChIInChI=1S/C12H18FNO2/c13-11-10(7-4-8-16-11)14-12(15)9-5-2-1-3-6-9/h1-2,9-11H,3-8H2,(H,14,15)
InChIKeyBISQDCWQPJEQCY-UHFFFAOYSA-N
XLogP1.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)cyclohex-3-enecarboxamide
CID 71796871
N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohex-3-ene-1-carboxamide
CID 133828815
N-(4-morpholinobut-2-yn-1-yl)cyclohex-3-enecarboxamide
CID 71792715
N-(3-morpholin-4-yl-3-oxopropyl)cyclohex-3-ene-1-carboxamide
CID 153977312
N-(oxetan-3-yl)cyclohex-3-ene-1-carboxamide
CID 163356313
2-cyclohex-3-en-1-yl-N-[2-(oxan-4-yl)ethyl]acetamide
CID 178633019
Cyclohex-3-en-1-yl-[3-(2-methylpropyl)morpholin-4-yl]methanone
CID 56790121
N-(3-methyl-2-morpholin-4-ylbutyl)cyclohex-3-ene-1-carboxamide
CID 60371162
N-[2-(4-aminocyclohexyl)oxyethyl]cyclohex-3-ene-1-carboxamide
CID 63869967
N-[2-(4-aminocyclohexyl)oxyethyl]-2-cyclopent-2-en-1-ylacetamide
CID 63869968
N-(2-piperidin-4-yloxyethyl)cyclohex-3-ene-1-carboxamide
CID 63870773
4-amino-N-(oxan-3-yl)cyclopent-2-ene-1-carboxamide
CID 79208006

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorooxan-3-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(2-fluorooxan-3-yl)cyclohex-3-ene-1-carboxamide (CID 126857050) is N-(2-fluorooxan-3-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-fluorooxan-3-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(2-fluorooxan-3-yl)cyclohex-3-ene-1-carboxamide is O=C(NC1CCCOC1F)C1CC=CCC1.
What is the InChIKey of N-(2-fluorooxan-3-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is BISQDCWQPJEQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c13-11-10(7-4-8-16-11)14-12(15)9-5-2-1-3-6-9/h1-2,9-11H,3-8H2,(H,14,15).
What are the key properties of N-(2-fluorooxan-3-yl)cyclohex-3-ene-1-carboxamide?
N-(2-fluorooxan-3-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 227.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorooxan-3-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 126857050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).