N-(1-cyanoethyl)-3-fluorooxolane-3-carboxamide

C8H11FN2O2 — CID 130685521

IUPACN-(1-cyanoethyl)-3-fluorooxolane-3-carboxamide
SMILESCC(C#N)NC(=O)C1(F)CCOC1
InChIInChI=1S/C8H11FN2O2/c1-6(4-10)11-7(12)8(9)2-3-13-5-8/h6H,2-3,5H2,1H3,(H,11,12)
InChIKeyXAVHNQNZVHQGTP-UHFFFAOYSA-N
MW186.19 g/mol
LogP0.14
Rot. Bonds2

About N-(1-cyanoethyl)-3-fluorooxolane-3-carboxamide

N-(1-cyanoethyl)-3-fluorooxolane-3-carboxamide (PubChem CID 130685521) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is N-(1-cyanoethyl)-3-fluorooxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-3-fluorooxolane-3-carboxamide
PubChem CID130685521
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC NameN-(1-cyanoethyl)-3-fluorooxolane-3-carboxamide
SMILESCC(C#N)NC(=O)C1(F)CCOC1
InChIInChI=1S/C8H11FN2O2/c1-6(4-10)11-7(12)8(9)2-3-13-5-8/h6H,2-3,5H2,1H3,(H,11,12)
InChIKeyXAVHNQNZVHQGTP-UHFFFAOYSA-N
XLogP0.14
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-3-fluorooxolane-3-carboxamide?
The IUPAC name of N-(1-cyanoethyl)-3-fluorooxolane-3-carboxamide (CID 130685521) is N-(1-cyanoethyl)-3-fluorooxolane-3-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)-3-fluorooxolane-3-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)-3-fluorooxolane-3-carboxamide is CC(C#N)NC(=O)C1(F)CCOC1.
What is the InChIKey of N-(1-cyanoethyl)-3-fluorooxolane-3-carboxamide?
The InChIKey is XAVHNQNZVHQGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-6(4-10)11-7(12)8(9)2-3-13-5-8/h6H,2-3,5H2,1H3,(H,11,12).
What are the key properties of N-(1-cyanoethyl)-3-fluorooxolane-3-carboxamide?
N-(1-cyanoethyl)-3-fluorooxolane-3-carboxamide has a molecular weight of 186.19 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-3-fluorooxolane-3-carboxamide is sourced from PubChem (CID 130685521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).